Abstract
This paper thoroughly investigated the adsorption mechanism of nickel ions (Ni2+) on fluorapatite-based natural phosphate (AFap) by Rietveld refinement combined with Monte Carlo simulations. The experimental results indicated that the cation exchange was the predominant mechanism in removing Ni2+ ions and the Pseudo first order described better the kinetic data suggesting that the adsorption rate depended on the concentration. The application of Rietveld structure refinement confirmed the preferable cation-exchange sites for Ni2+ in the AFap structure at low and high metal concentrations. Accordingly, Ni2+ occupancies within the AFap structure were estimated, and a new chemical formula was proposed. Additionally, Monte Carlo simulations gave more insights into the pH effect on the Ni2+ uptake behavior onto AFap surface through the energetic analysis and system configuration. The results highlight the noticeable ability of the phosphate surface to adsorb Ni2+ in the near-neutral environment compared to the acidic one.
Original language | English |
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Article number | 123023 |
Journal | Journal of Solid State Chemistry |
Volume | 310 |
DOIs | |
Publication status | Published - Jun 2022 |
Keywords
- Adsorption mechanism
- Fluorapatite
- Monte Carlo simulation
- Nickel ions
- Rietveld refinement
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry