Dry and wet milling, were selected to carry out modification experiments. The influence of mechanical modification pretreatment on fly ash carbonation to solidify heavy metals was explored, and its influence mechanism was revealed. Mechanical modification can improve the physical properties, and the continuous application of mechanical energy can activate the active sites which strengthen fly ash carbonation. The carbonation efficiency was obtained by 500–800 °C thermogravimetric analysis before and after carbonation. The average carbonation efficiency improved by dry milling is 2.28 %, and that improved by wet milling is 8.11 %. Carbonation has a good curing effect on Cr, Cd, Pb and As, especially when the CO2 is raised to supercritical. At 8 MPa pressure, the leaching concentrations of Cr, Cd, Pb and As decrease by 34.94 %, 7.00 %, 15.28 % and 35.85 %. The stabilization effect of fly ash carbonation on heavy metals is significantly improved after mechanical modification pretreatment. Comparison experiments on characterization of fly ash before and after mechanical modification shows that ball milling significantly increases the specific surface area. The crushing effect of wet milling is better, because the presence of water weakens the agglomeration of fine particles caused by van der Waal force. Mechanical modification can effectively improve the pore structure of fly ash and activate active sites which promote carbonation to form a larger physical wrapping area and strengthen stable carbonate formation. so mechanical modification effectively improves the solidification of heavy metals by carbonation.