دورية أكاديمية
Insight into the Mechanism of Cobalt-Nickel Separation Using DFT Calculations on Ethylenediamine-Modified Silica Gel
| العنوان: | Insight into the Mechanism of Cobalt-Nickel Separation Using DFT Calculations on Ethylenediamine-Modified Silica Gel |
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| المؤلفون: | Hailun Yang, Ling Yuan, Menglei Yuan, Pengge Ning |
| المصدر: | Materials, Vol 16, Iss 9, p 3445 (2023) |
| بيانات النشر: | MDPI AG, 2023. |
| سنة النشر: | 2023 |
| المجموعة: | LCC:Technology LCC:Electrical engineering. Electronics. Nuclear engineering LCC:Engineering (General). Civil engineering (General) LCC:Microscopy LCC:Descriptive and experimental mechanics |
| مصطلحات موضوعية: | adsorptive separation, ethylenediamine, silica gel, DFT calculation, separation mechanism, Technology, Electrical engineering. Electronics. Nuclear engineering, TK1-9971, Engineering (General). Civil engineering (General), TA1-2040, Microscopy, QH201-278.5, Descriptive and experimental mechanics, QC120-168.85 |
| الوصف: | The separation of Co(II) and Ni(II) from leaching solution is gaining interest because Co(II) and Ni(II) are increasingly used in emerging strategic areas, such as power batteries. Herein, the surface of silica gel is functionalized with 1,2-ethylenediamine and used for the separation of Co(II) and Ni(II). The Co(II) removal efficiency of the modified silica is 80.2%, with a 4-fold improvement in the separation factor. The geometry, frequency, and electrostatic potential of the ethylenediamine modified silica gel (en/SG) are calculated. The corresponding properties of M2+ (M-Co, Ni) adsorbed on en/SG in an aqueous solution are simulated and analyzed. The results show that ethylenediamine tends to form [Men(H2O)4]2+ after binding to M2+, and the binding ability of Co(II) to ethylenediamine is stronger. Besides, the thermodynamic calculations show that en/SG has a more negative Gibbs free energy when absorbing Co(II) in aqueous solution, so en/SG is more inclined to bind with Co(II) preferentially. It is the difference in complexation ability between Ni, Co, and ethylenediamine that enlarges the difference in the original physical adsorption, thus strengthening the separation performance. This work will provide guidance for a rational design of high-performance nickel-cobalt adsorption materials. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 16093445 1996-1944 |
| Relation: | https://www.mdpi.com/1996-1944/16/9/3445; https://doaj.org/toc/1996-1944 |
| DOI: | 10.3390/ma16093445 |
| URL الوصول: | https://doaj.org/article/a7f64fb01c1d4baeb8aaca6a3e51ff85 |
| رقم الأكسشن: | edsdoj.7f64fb01c1d4baeb8aaca6a3e51ff85 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 16093445 19961944 |
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| DOI: | 10.3390/ma16093445 |