Phosphate sequestration by magnetic La-impregnated bentonite granules: A combined experimental and DFT study

To use the lanthanum hydroxide (La(OH)3) as a low-cost, highly-efficient, and recyclable adsorbent, it could be embedded on a magnetic substance to improve its physical features and lower the overall cost. Herein, novel millimetric-size magnetic lanthanum-modified bentonite (La-MB) granules were fabricated for P sequestration, and the adsorption performance and mechanisms were systematic studied. The maximum capacity of P uptake by La-MB was up to 48.4 mg/g, which was higher than many previous reported La-based adsorbents. Moreover, the enhanced uptake of P was achieved over a wide pH range (3–9) and in the coexistence of common anions (Cl−, NO3−, and SO42−). Besides, the exhausted La-MB can be effectively regenerated by 5 mol/L NaOH with about 94.5% desorption efficiency and 60.8% uptake capacity remained during 5 cycles. The La-MB also exhibited excellent performance of anti-interference in two kinds of real wastewaters. The postsorption characterization and DFT calculations revealed that the electrostatic interaction and chemical precipitation jointly facilitated phosphate sequestration by La-MB during the rapid sorption phase, while ligand exchange and complexation reaction played more important roles than others during the slow sorption step. The electrostatic interaction not only effectively promoted the ligand exchange, and also further accelerated chemical precipitation via the formation of LaPO4 during the whole process of phosphate uptake. Overall, millimetric La-MB is considered to have great potential for engineering application, and this work also provides new insights into the molecular-level mechanism of phosphate sequestration by La-MB. [Display omitted] •Novel millimetric magnetic La-MB granules were synthesized for phosphate removal.•La-MB showed a good sorption and selectivity performance on P solutions.•Phosphate could be sequestered in the pH range of 3–9 with negligible La leaching.•The specific molecular configuration of LaP bonding was calculated and given.•The electrostatic attraction favored the ligand exchange and chemical precipitation.