Publication | Closed Access
Tailoring of carbon nanotubes for the adsorption of heavy metal ions: molecular dynamics and experimental investigations
22
Citations
29
References
2018
Year
Heavy Metal IonsEngineeringComputational ChemistryChemistryMolecular DynamicsChemical EngineeringCarbon-based MaterialMolecular SimulationMolecular KineticsCarbon NanotubesMaterials ScienceAdsorption MechanismIon ExchangeNanotechnologyChemisorptionPhysical ChemistryAdsorptionPresent StudyPhysicochemical AnalysisNanomaterialsActivated Carbon
The present study explores the adsorption mechanism of Cd<sup>++</sup>/Hg<sup>++</sup> with carboxyl (COOH), amine (CONH(CH<sub>2</sub>)<sub>2</sub>NH<sub>2</sub>) and sulfur (CONH(CH<sub>2</sub>)<sub>2</sub>SH) based CNTs, using molecular dynamics (MD) simulations.
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