BARC/PUB/2023/0719

 
 

Functionalized Carbon Nanotubes Encapsulated Alginate Beads for the Removal of Mercury Ions: Design, Synthesis, Density Functional Theory Calculation, and Demonstration in a Batch and Fixed-Bed Process

 
     
 
Author(s)

Singha Deb, A. K.; Mohan, M.; Govalkar, S.; Dasgupta, K.; Ali, S. M.
(ChED;G&AMD)

Source

ACS Omega, 2023. Vol. 8: pp. 32204-32220

ABSTRACT

Various nanomaterials have been envisaged mainly through batch studies for environmental remediation application. The real utilization of these new generation adsorbents in large scale pose a difficulty due to its low density and small size which makes it difficult for isolation after application. In this context, nanoadsorbents polymer composite beads can be seen as a way out. Here, functionalized CNTs (carbon nanotubes) have been fabricated into micro beads with sodium alginate. The alginatefunctionalized CNT (Alg-f-CNT) beads were then comprehensively evaluated for batch and fixed-bed column separation of divalent mercury ions from an aqueous medium. The effects of process parameters such as pH, contact time, feed Hg2+ concentration, and temperature were studied. Simulation of the experimental data suggested that adsorption is an endothermic spontaneous process which follows the pseudo-second-order kinetic and Langmuir isotherm model. The desorption of the Hg2+ ion from used adsorbent was possible with 1 M HNO3. The breakthrough curves at different process parameters were investigated during fixed-bed column separation and found to be in good agreement with Thomas model. The regeneration and reusability of the adsorbent were tested up to five cycles without a significant decrease in the removal  performance. Density functional theory studies revealed stronger interaction of Alg-f-CNT with Hg compared to free alginic acid and established the role of carboxyl and oxo groups present in the adsorbent in the coordination of the Hg2+ ions. The experimental results demonstrate that functionalized CNT-encapsulated alginate beads are a promising alternate material, which can be used to remove mercury in the fixed-bed column mode of the operation.

 
 
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