Removal of Heavy Metal Ions Using a Functionalized Single-Walled Carbon Nanotube: A Molecular Dynamics Study.

@article{Anitha2015RemovalOH,
  title={Removal of Heavy Metal Ions Using a Functionalized Single-Walled Carbon Nanotube: A Molecular Dynamics Study.},
  author={K. Anitha and Sadanandam Namsani and Jayant K. Singh},
  journal={The journal of physical chemistry. A},
  year={2015},
  volume={119 30},
  pages={
          8349-58
        }
}
  • K. Anitha, Sadanandam Namsani, Jayant K. Singh
  • Published 2015
  • Chemistry, Medicine
  • The journal of physical chemistry. A
  • The adsorption behaviors of heavy metal ions Cd(2+), Cu(2+), Pb(2+), and Hg(2+), in aqueous media using functionalized single-walled carbon nanotube (SWCNT) with functional groups -COO(-), -OH, and -CONH2 are studied using molecular dynamics (MD) simulations. The results show that adsorption capacity is improved significantly using surface modification of SWCNT with carboxyl, hydroxyl, and amide functional groups. In addition, the adsorption capacity is found to increase with increasing metal… CONTINUE READING
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