Quantum Chemical Simulation of the Interaction of Functional Groups in Polyurethanes with 3d-Metal Ions During Their Extraction from Aqueous Solutions
| Autor: | M. A. Ksenofontov, E. Yu. Bobkova, V. S. Vasil’eva, L. E. Ostrovskaya, M. B. Shundalau |
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| Rok vydání: | 2017 |
| Předmět: |
Aqueous solution
010405 organic chemistry Chemistry Metal ions in aqueous solution Extraction (chemistry) Inorganic chemistry Atomic emission spectroscopy Infrared spectroscopy 010402 general chemistry Condensed Matter Physics 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Adsorption Computational chemistry Density functional theory Spectroscopy Polyurethane |
| Zdroj: | Journal of Applied Spectroscopy. 84:816-823 |
| ISSN: | 1573-8647 0021-9037 |
| DOI: | 10.1007/s10812-017-0550-z |
| Popis: | The interaction of the functional groups in the polyurethane foam adsorbent Penopurm® with the cations of some 3d-metals upon their extraction from aqueous solutions has been studied by atomic emission spectroscopy, UV/Vis and vibrational IR spectroscopy, and quantum chemical simulation using density functional theory. Penopurm® absorbs 3d-metal cations from aqueous solutions in the pH range 5–7. Some spectral criteria have been found indicating a predominant interaction of Ni2+ ions with various fragments of the polyurethane foam structure. |
| Databáze: | OpenAIRE |
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