Abstract: The flue gas absorption test was simulated using KMnO4 and NaClO2 as oxidants, and the effects of single alkaline absorptionsolutions and Na-K synergistic absorption solutions on the removal of NOx from flue gas were investigated. Trace amounts of SO2-3 ions wereintroduced during the process to further optimize the absorption efficiency. The results indicate that the performance of KOH alkaline solution is significantly higher than that of NaOH. The average absorption rate of KOH within 30 minutes of absorption is as high as 99.4%,while NaOH only achieves an average absorption rate of 86.9%. This difference can be attributed to the larger ionic radius of K+ ions,which facilitates the dissociation of OH- ions. When using 0.1 mol/ L KMnO4 as the oxidant and a two-component absorption solution (n(Na) ∶ n(K)= 1 ∶ 2), the efficiency is higher and more stable, reaching 86% even after 30 minutes. It is due to the charge transfereffect of bimetallic ions, which results in the rapid rupture of the gas film when gas-phase reactants transfer to the liquid phase, reducingthe diffusion time between the gas and liquid phases. This phenomenon has been thoroughly confirmed through density functional theory(DFT) simulation calculations. The average absorption rate is increased by 3% by introducing trace amounts of SO2-3 ions into the absorption solution, demonstrating that SO2-3 ions further promote the absorption and conversion of nitrate species.