Abstract
The removal of iron ions (Fe(III)), aluminum ions (Al(III)), and magnesium ions (Mg(II)) in phosphoric acid (H3PO4) solution is vital for the production of H3PO4 and supply of phosphate fertilizer. However, the mechanism and intrinsic selectivity for removal of Fe(III), Al(III), and Mg(II) from wet-process phosphoric acid (WPA) by phosphonic group (−PO3H2) functionalized MTS9500 are still unclear. In this work, the removal mechanisms were determined via combined analysis of FT-IR, XPS, molecular dynamics (MD), and quantum chemistry (QC) simulations based on density functional theory (DFT). The metal-removal kinetics and isotherms were further studied to confirm the removal mechanisms. The results indicate that Fe(III), Al(III), and Mg(II) interact with the −PO3H2 functional groups in MTS9500 resin with sorption energies of -126.22 kJ·mol-1, -42.82 kJ·mol-1, and -12.94 kJ·mol-1, respectively. Moreover, the intrinsic selectivities of the resin for Fe(III), Al(III), and Mg(II) removal were quantified by the selectivity coefficient (Si/j). The SFe(III)/Al(III), SFe(III)/Mg(II) and SAl(III)/Mg(II) are 18.2, 55.1 and 3.02, respectively. This work replenishes sorption theory that can be used in the recycling of electronic waste treatment acid, sewage treatments, hydrometallurgy, and purification of WPA in industry.
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Acknowledgments
The authors would like to thank Prof. Gijs Du Laing for his work on editing/improvement of the paper, and the Analytical & Testing Center of Sichuan University for XPS work. The authors are grateful to Hai-Sheng Ren for his help with theoretical calculations and Shuguang Yan for his help with XPS analysis.
Funding
This study was financially supported by the National Natural Science Foundation of China (Project No.32172677), The National Key Research and Development Program of China (Project No.2022YFC2904703), and China Scholarship Council.
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Honggang Zhen: Conceptualization, Validation, Formal analysis, Writing-review & editing. Xuefang Yan: Resources. Chaojiu Chen: Resources. Haozhou Liu: Investigation. Xiuying Yang: Investigation. Yingli Su: Formal analysis, Data curation. Lin Yang: Supervision. Xinlong Wang: Data curation. Zhiye Zhang: Writing-review & editing.
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Zhen, H., Yan, X., Chen, C. et al. Removal of Fe(III)/Al(III)/Mg(II) by phosphonic group functionalized resin in wet-process phosphoric acid: Mechanism and intrinsic selectivity. Environ Sci Pollut Res 30, 74754–74770 (2023). https://doi.org/10.1007/s11356-023-27600-2
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DOI: https://doi.org/10.1007/s11356-023-27600-2