Machado , Fernando M and Sophia, Carmalin A and Lima, Eder C and Dias, Silvio L P and Prola, Lizie D T and Saucier, Caroline and Jauris, Iuri M and Zanella, Ivana and Fagan, Solange B (2016) Adsorption of Alizarin Red S Dye by Carbon Nanotubes: An Experimental and Theoretical Investigation. The Journal of Physical Chemistry C, 120 (32). pp. 18296-18306. ISSN 1932-7447, ESSN: 1932-7455

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Abstract

This study evaluated the feasibility of removal Alizarin Red S dye (ARS) from aqueous solutions, using nanoadsorbents such as single and multi-walled carbon nanotubes (SWCNT and MWCNT respectively). The effect of pH, shaking time and temperature on adsorption was studied. The pH 2.0 was observed to show optimum removal of for both the carbon nanotubes. The equilibrium time (298-318 K) was fixed at 65 and 100 min, for SWCNT and MWCNT respectively. The kinetics of adsorption was calculated using pseudo first order, pseudo second order and general order equations. The calculations revealed that, general order kinetic equation best-fit the adsorption data. Liu isotherm model best fit the equilibrium data (298-318 K). The maximum sorption capacity at 318 K for ARS dye was 312.5 and 135.2 mgg-1 for SWCNT and MWCNT, respectively. Change in entropy (∆S°), Gibb’s free energy change (∆G°) and enthalpy (∆H°) were calculated for the adsorption of ARS dye. The electrostatic interaction between nanoadsorbent – adsorbate was conveyed using the magnitude of change in enthalpy. Ab initio simulation was used to study the interaction of ARS with (5,5) and (8,0) SWCNTs; and (16,0) and (25,0) SWCNTs with and without vacancy. The theoretical calculations showed that the binding energies between ARS dye and SWCNTs is enhanced as the nanotube diameter gets bigger; however, the distance of binding remains unchanged. Therefore, the results from first principle calculations indicated that electrostatic interaction may be responsible for the adsorption of ARS dye onto SWCNT. The theoretical outcomes were found to be in coordination with the experimental estimates

Item Type:	Article
Subjects:	Environmental Pollution Water Pollution Water Treatment
Divisions:	UNSPECIFIED
Depositing User:	Dr Carmalin Sophia
Date Deposited:	01 Jan 2017 09:43
Last Modified:	01 Jan 2017 10:56
URI:	http://neeri.csircentral.net/id/eprint/612

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