In order to efficiently remove phosphorus, thermodynamic equilibrium diagrams of the P-H2O system and P-M-H2O system (M stands for Fe, Al, Ca, Mg) were analyzed by software from Visual MINTEQ to identify the existence of phosphorus ions and metal ions as pH ranged from 1 to 14. The results showed that the phosphorus ions existed in the form of H3PO4, H2PO4â, HPO42â, and PO43â. Among them, H2PO4â and HPO42â were the main species in the acidic medium (99% at pH = 5) and alkaline medium (97.9% at pH = 10). In the P-Fe-H2O system ((P) = 0.01 mol/L, (Fe3+) = 0.01 mol/L), H2PO4â was transformed to FeHPO4+ at pH = 0â7 due to the existence of Fe3+ and then transformed to HPO42â at pH > 6 as the Fe3+ was mostly precipitated. In the P-Ca-H2O system ((P) = 0.01 mol/L, (Ca2+) = 0.015 mol/L), the main species in the acidic medium was CaH2PO4+ and HPO42â, and then transformed to CaPO4â at pH > 7. In the P-Mg-H2O system ((P) = 0.01 mol/L, (Mg2+) = 0.015 mol/L), the main species in the acidic medium was H2PO4â and then transformed to MgHPO4 at pH = 5â10, and finally transformed to MgPO4â as pH increased. The verification experiments (precipitation experiments) with single metal ions confirmed that the theoretical analysis could be used to guide the actual experiments.