Zinc ion adsorption on carbon nanotubes in an aqueous solution

Ansari, A.; Mehrabian, M.A.; Hashemipour, H.

doi:10.2478/v10026-012-0081-6

Abstract

The literature devoted to numerical investigation of adsorption of heavy metal ions on carbon nanotubes is scarce. In this paper molecular dynamics is used to simulate the adsorption process and to investigate the effect of the infl uencing parameters on the rate of adsorption. The predictions of the molecular dynamics simulation show that the adsorption process is improved with increasing the temperature, pH of solution, the mass of nanotubes, and surface modifi cation of CNT using hydroxyl and carboxyl functional groups. The results predicted by the model are compared with the experimental results available in the literature; the close agreement validates the accuracy of the predictions. This study reveals that the water layers around the carbon nanotubes and the interaction energies play important roles in the adsorption process. The study also shows that electrostatic force controls the attraction of zinc ions on the nanotube sidewall.

References

1. Rao, G., Lu, Ch. & Su, F. (2007). Sorption of divalent metal ions from aqueous solution by carbon nanotubes: A review. Separation and Purifi cation Technology 58, 224-231. DOI: 10.1016/j.seppur.2006.12.006.10.1016/j.seppur.2006.12.006
Search in Google Scholar
2. Wang, H.J., Zhou, A.L., Peng, F., Yu, H. & Chen, L.F. (2007). Adsorption characteristic of acidified carbon nanotubes for heavy metal Pb(II) in aqueous solution. Materials Science andEngineering A 466, 201-206. DOI: 10.1016/j.msea.2007.02.097.10.1016/j.msea.2007.02.097
Search in Google Scholar
3. Li, Y.H., Wang, S., Wei, J., Zhang, X., Xu, C., Luan, Z., Wu, D. & Wei, B. (2002). Lead adsorption on carbon nanotubes. Chem. Phys. Lett. 357, 263-266. DOI: 10.1016/ S0009-2614(02)00502-X.10.1016/S0009-2614(02)00502-X
Search in Google Scholar
4. Lu, C. & Chiu, H. (2006). Adsorption of zinc (II) from water with purifi ed carbon nanotubes. Chemical EngineeringScience 61, 1138-1145. DOI: 10.1016/j.ces.2005.08.007.10.1016/j.ces.2005.08.007
Search in Google Scholar
5. Stafi ej, A. & Pyrzynska, K. (2007). Adsorption of heavy metal ions with carbon nanotubes. Separation and Purifi cationTechnology 58, 49-52. DOI: 10.1016/j.seppur.2007.07.008.10.1016/j.seppur.2007.07.008
Search in Google Scholar
6. Li, H.Y., Wang, S., Luan, A., Ding, J., Xu, C. & Wu, D. (2003). Adsorption of cadmium(II) from aqueous solution by surface oxidized carbon nanotubes. Carbon 41, 1057-1062. DOI: 10.1016/S0008-6223(02)00440-2.10.1016/S0008-6223(02)00440-2
Search in Google Scholar
7. Chingombe, P., Saha, B. & Wakeman, R.J. (2005). Surface modifi cation and characterization of a coal-based activated carbon. Carbon 43, 3132-3143. DOI: 10.1016/j.carbon.2005.06.021.10.1016/j.carbon.2005.06.021
Search in Google Scholar
8. Biniak, S., Pakula, M., Szymanski, G.S. & Swiatkowski, A. (1999). Effect of activated carbon surface oxygen- and/ or nitrogen containing groups on adsorption of copper(II) ions from aqueous solution. Langmuir 15, 6117-6122. DOI: 10.1021/la9815704.10.1021/la9815704
Search in Google Scholar
9. XU, Y., Rosa, A., LIU, X. & SU, D. (2011). Characterization and use of functionalized carbon nanotubes for the adsorption of heavy metal anions. New Carbon Materials 26 (1), 57-62. DOI: 10.1016/S1872-5805(11)60066-8.10.1016/S1872-5805(11)60066-8
Search in Google Scholar
10. Bahgat, M., Farghali, A.A., El Rouby, W.M.A. & Khedr, M.H. (2011). Synthesis and modifi cation of multi-walled carbon nano-tubes (MWCNTs) for water treatment applications. Journal of Analytical and Applied Pyrolysis 92 (2), 307-313. DOI: 10.1016/j.jaap.2011.07.002.10.1016/j.jaap.2011.07.002
Search in Google Scholar
11. Lu, C., Chiu, H. & Liu, C. (2006). Removal of zinc(II) from aqueous solution by purifi ed carbon nanotubes: kinetics and equilibrium studies. Ind. Eng. Chem. Res. 45, 2850-2855. DOI: 10.1021/ie051206h.10.1021/ie051206h
Search in Google Scholar
12. Li, Y.H., Di, Z., Ding, J., Wu, D., Luan, Z. & Zhu, Y. (2005). Adsorption thermodynamic, kinetic and desorption studies of Pb2+ on carbon nanotubes. Wat. Res. 39, 605-609. DOI:10.1016/j.watres.2004.11.004.10.1016/j.watres.2004.11.00415707633
Search in Google Scholar
13. Vukovic, G.D., Marinkovic, A.D., Colic, M., Risti, M. D., Aleksi, R., Peric-Grujic, A.A. & Uskokovic, P.S. (2010). Removal of cadmium from aqueous solutions by oxidized and Ethylenediamine-functionalized multi-walled carbon nanotubes. Chemical Engineering Journal 157, 238-248. DOI: 10.1016/j. cej.2009.11.026.
Search in Google Scholar
14. AbdelSalam, M., Makki, M.I., Abdelaal, M.Y.A. & Salametal, M.A. (2010). Preparation and characterization of multi-walled carbon nanotubes/chitosan nanocomposite and its application for the removal of heavy metals from aqueous solution. Journal of Alloys and Compounds 529 (5), 2582-2587. DOI: 10.1016/j.jallcom.2010.11.094.10.1016/j.jallcom.2010.11.094
Search in Google Scholar
15. Tarley, C.R., Santos, V.S., Baeta, B.E.L., Pereira, A.C. & Kubota, L.T. (2009). Simultaneous determination of zinc, cadmium and lead in environmental water samples by potentiometric stripping analysis (PSA) using multiwalled carbon nanotube electrode. Journal of Hazardous Materials 169, 256-262. DOI: 10.1016/j.jhazmat.2009.03.077.10.1016/j.jhazmat.2009.03.07719398268
Search in Google Scholar
16. Shamspur, T. & Mostafavi, A. (2009). Application of modifi ed multiwalled carbon nanotubes as a sorbent for simultaneous separation and preconcentration trace amounts of Au(III) and Mn(II). Journal of Hazardous Materials 168, 1548-1553. DOI:10.1016/j.jhazmat.2009.03.028.10.1016/j.jhazmat.2009.03.02819346070
Search in Google Scholar
17. Pillay, K., Cukrowska E. M. & Coville N. J. (2009). Multi-walled carbon nanotubes as adsorbents for the removal of parts per billion levels of hexavalent chromium from aqueous solution. Journal of Hazardous Materials 166, 1067-1075. DOI:10.1016/j.jhazmat.2008.12.011.10.1016/j.jhazmat.2008.12.01119157694
Search in Google Scholar
18. Pyrzynska, K. & Bystrzejewski, M. (2010). Comparative study of heavy metal ions sorption onto activated carbon, carbon nanotubes, and carbon-encapsulated magnetic nanoparticles. Colloids and Surfaces A: Physicochem. Eng. Aspects 362 102-109. DOI:10.1016/j.colsurfa.2010.03.047.10.1016/j.colsurfa.2010.03.047
Search in Google Scholar
19. Sheng, G., Li, J., Shao, D., Hu, J., Chen, Ch., Chen, Y. & Wang, X. (2010). Adsorption of copper(II) on multiwalled carbon nanotubes in the absence and presence of humic or fulvic acids. Journal of Hazardous Materials 178, 333-340. DOI:10.1016/j.jhazmat.2010.01.084.10.1016/j.jhazmat.2010.01.08420153111
Search in Google Scholar
20. El-Sheikh, A.H., Al-Degs, Y., Al-Asad, R.M. & Sweileh, J.A. (2010). Effect of oxidation and geometrical dimensions of carbon nanotubes on Hg(II) sorption and preconcentration from real waters. Desalination 270 (3), 214-220. DOI: 10.1016/j. desal.2010.11.048.
Search in Google Scholar
21. DAngelo, P., Migliorati, V., Mancini, G. & Chillemi, G. (2008). A coupled molecular dynamics and XANES data analysis investigation of aqueous cadmium (II). J. Phys. Chem. A 112, 11833-11841. DOI:10.1021/jp806098r.10.1021/jp806098r18947218
Search in Google Scholar
22. Allen, M.P. & Tildesley, D.J. (1987). Computer simulation of liquids. Clarendon Press, Oxford, hardback.
Search in Google Scholar
23. Ansari dezfoli, A.R., Adabavazeh, Z. & Mehrabian, S. (2011). A molecular dynamic simulation investigation into the behavior of water molecules inside carbon nanotubes. NanomechanicsScience and Technology: An International Journal 1, 247-255. DOI: 10.1615/NanomechanicsSciTechnolIntJ.v1.i3.10.1615/NanomechanicsSciTechnolIntJ.v1.i3
Search in Google Scholar
24. Banerjee, S., Murad, S. & Puri, I.K. (2007). Preferential ion and water intake using charged carbon nanotubes. ChemicalPhysics Letters 434, 292-296. DOI:10.1016/j.cplett.2006.12.025.10.1016/j.cplett.2006.12.025
Search in Google Scholar
25. Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., DiNola, A. & Haak, J.R. (1984). Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81, 3684-3690. DOI:10.1063/1.448118.10.1063/1.448118
Search in Google Scholar
26. Attard, Ph., Antelmi, D. & Larson, I. (2000). Comparison of the zeta potential with the diffuse layer potential from charge titration, Langmuir 16, 1542-1552. DOI:10.1021/la990487t. 10.1021/la990487t
Search in Google Scholar

Zinc ion adsorption on carbon nanotubes in an aqueous solution

Abstract

Paradigm

My account