Phenylamine/Amide Grafted in Silica as Sensing Nanocomposites for the Removal of Carbamazepine: A DFT Approach
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Original research
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This study aimed to remove carbamazepine from aqueous solutions, using functional silica
phenylamine (SiBN), which is characterized and showed excellent chemical and thermal stability.
Adsorbents based on silica were developed due to their unusually large surface area, homogenous
pore structure, and well-modified surface properties, as silica sparked tremendous interest. It was
determined to develop a novel silica adsorbent including phenylamine and amide (SiBCON). The
adsorbents obtained were analyzed by various spectroscopy devices, including SEM, FT-IR and
TGA analysis. The maximum removal rates for carbamazepine were 98.37% and 98.22% for SiBN
and SiBCON, respectively, when optimized at room temperature, pH 9.0, initial concentration of
10 mgL????1 and contact time of 15 min. Theoretical tools are widely used in the prediction of the power
of interactions between chemical systems. The computed data showed that new amine modified
silica is quite effective in terms of the removal of carbamazepine from aqueous solution. Calculation
binding energies and DFT data showed that there is a powerful interaction between amine-modified
silica and carbamazepine

Journal
Title
Chemosensors
Publisher
MDPI
Publisher Country
Switzerland
Indexing
Thomson Reuters
Impact Factor
4.2
Publication Type
Prtinted only
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Year
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Pages
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