Removal of Bismuth (III) ions from water solution using a cellulose-based nanocomposite: A detailed study by DFT and experimental insights
| Autor: | Sara Hallajian, Ali Mirabi, Seyedeh Sedigheh Asadi-Ojaee, Shirin Movaghgharnezhad, Ali Shokuhi Rad |
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| Rok vydání: | 2019 |
| Předmět: |
Detection limit
Nanocomposite Materials science Inorganic chemistry Ionic bonding chemistry.chemical_element 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Nanocellulose Bismuth Adsorption chemistry Chemisorption Materials Chemistry Density functional theory Physical and Theoretical Chemistry 0210 nano-technology Spectroscopy |
| Zdroj: | Journal of Molecular Liquids. 295:111723 |
| ISSN: | 0167-7322 |
| DOI: | 10.1016/j.molliq.2019.111723 |
| Popis: | Towards determination of trace amount of bismuth (III) ions in real samples, we used cellulose/CBIMMT-resulted-ligand nanocomposite for its preconcentration and separation. The proposed nanocomposite was synthesized by immobilization of a ligand resulted by 4-(4′-chlorobenzylideneimino)-3-methyl-5-mercapto-1, 2, 4-triazole (CBIMMT) on nanocellulose. The properties of resulted nanocomposite were characterized by TEM, TGA, EDS, elemental analysis CHNS, and BET methods. Moreover, the density functional theory (DFT) was used to deep understanding the changes in the electronic structure of above-mentioned ligand upon Bi(III) adsorption. The most energetically favorable position of adsorption is achieved and the value of adsorption is calculated to be −543.5 kJ/mol that is indication of chemisorption. It is found that the charge distribution of ligand changes significantly upon Bi (III) surface interaction. The operational features such as pH, nanocomposite quantity, extraction time, eluent kind, ionic power and the volume of the sample were optimized for quantifiable determination of bismuth (III) ions. The calibration graph shows a linear range of Bi (III) between 10 and 500 ng mL−1 with the detection limit of 2.68 ng mL−1. The RSD was calculated to be 1.5%. The proposed nanocomposite was utilized as a sensitive sensor of bismuth (III) ions in the real samples. |
| Databáze: | OpenAIRE |
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