This paper investigated the synergistic mechanism of short-chain fluorocarbon surfactant and electrolyte on inhibiting coal dust pollution via the experimental and molecular dynamics simulations Findings illustrated that the synergistic application of short-chain fluorocarbon and electrolyte achieves better dust suppression performance when compares with the individual application of FS-50 and FS-3100, the maximum suppression rates for FS-50 and FS-3100 after the addition of electrolytes are 94.48 % and 93.94 %, respectively. The addition of electrolyte reduces the diffusion coefficient of suppressants, and its effect on FS-3100 is much higher than on FS-50. The maximum particle size achieved by FS-50 reaches 304–344 μm, while only 238–269 μm and 269–306 μm are acquired by FS-3100. The smaller negative potential and the larger difference in EPE indicate that the addition of NaCl promotes the adsorption of H2O molecules by surfactants. Compared to FS-3100, FS-50 has a lower negative potential and a larger EPE difference, suggesting that FS-50 exhibits stronger reactivity and better ability of absorb ion hydrates and H2O molecules, and hence has superior agglomeration effect. The addition of NaCl also promotes the generation of more sodium hydrate ions and hydrated chloride ions, which enhances the ability of FS-3100 to absorb H2O. Compares with FS-50, due to special curved spatial configuration and the synergistic effect with electrolytes, FS-3100 could restrict the desorption of large numbers of H2O molecules more effectively, and therefore exhibiting better wettability.