Coal dust restricts coal mine safety and green production. Wet dust removal is widely used in coal mining, processing and transportation. High-efficiency dust suppressants help control coal dust and improve the working environment. The wetting behaviors of dust suppression droplets on coal affect the dust reduction efficiency. In order to select high-quality and efficient water-based materials, four ethoxy-containing surfactants with similar structures, fatty alcohol ether sulfate (AES), lauryl alcohol sulfosuccinate disodium (MES), fatty acid methyl ester ethoxylates (FMEE) and fatty acid methyl esters ethoxylate sodium sulfonate (FMES), are selected to prepare solutions with different concentrations. Through the droplet impact wetting experimental system, the dimensionless spreading coefficient of droplets is compared. The results show that the spreading behavior of the four surfactant-containing droplets is better than that of distilled water droplets, and the maximum dimensionless spreading coefficient follows the rule of AES > MES > FMES > FMEE >distilled water. The maximum dimensionless spreading coefficient of the droplet first increases sharply with the increase of the concentration, and then increases slowly when the concentration reaches the critical micelle concentration (CMC). The adsorption configuration of water-surfactant-coal system is simulated by molecular dynamics (MD) simulation. The relative concentration distribution of each component and the mean square displacement (MSD) of water molecules are analyzed. The interaction energy of the system is calculated. The simulation results verified the effectiveness of the impact wetting experiment results.