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It is vital for the development and application of heavy metal stabilization/solidification (S/S) agents to reveal the mechanism of the reaction between water-soluble thiourea formaldehyde (WTF) resin and heavy metal and evaluate its repairing effect. Based on the density functional theory analysis of the WTF resin structure, the mechanism analysis and scanning electron microscope (SEM) showed that the three-dimensional network structure with thiocarbonyl and hydroxyl groups is very conducive to the capture of Cd2+. The reduction rate o