Sulphur Ligand Functionalized Carbon Nanotubes for Removal of mercury from waste water–experimental and density functional theoretical study

A. K. Singha Deb, N. Dhume, K. Dasgupta, S. M. Ali, K. T. Shenoy, S. Mohan

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Owing to the strong interaction of mercury with sulphur, thiol(SH) and dithiocarbamate (DTC) ligands were grafted on multi-walled carbon nanotubes (MWCNTs) and were characterized by elemental analysis, SEM-EDS, FTIR, and XRD analysis. The maximum adsorption capacity of MWCNT-DTC was found to be 3.5 times higher than that of MWCNT-SH at the optimum pH of 6. The kinetics and equilibrium data revealed that the adsorption of Hg 2+ follow pseudo-first-order and Langmuir isotherm model, respectively. Density functional theoretical calculation performed for the interaction of Hg 2+ ion with SWCNT-DTC and SWCNT-SH corroborated the experimental output that former have greater adsorption than the later.Test- L2.

Original languageEnglish
Pages (from-to)1573-1587
Number of pages15
JournalSeparation Science and Technology (Philadelphia)
Issue number10
Publication statusPublished - 03-07-2019
Externally publishedYes


All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Process Chemistry and Technology
  • Filtration and Separation

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