371 / 2024-03-23 09:42:03

The investigation of wetting and agglomerating mechanism of short-chain fluorocarbon surfactant in coal dust suppression from macro and molecular scales

short-chain fluorocarbon surfactant; molecular dynamics simulation; electrostatic potential energy; wind tunnel experiment; frontier orbital theory

2、安全工程与职业健康 > 1、智能通风与防灭火

This study carried out a multi-scale investigation on the wetting and agglomerating mechanism of short-chain fluorocarbon surfactant suppressing coal dust. As investigated, FS-50 achieves higher dedusting rate and shorter suppression time than FS-3100, which is attributed to its better wettability and more sufficient agglomeration on coal particles. Simulation indicates that FS-3100 with longer chain length is easier to generate chemical bond rotation, which results in a distorted spatial structure, higher steric hindrance, and poorer ability of FS-3100 in retaining H₂O molecules and adsorbing surround the coal particles. The hydrophilic group of FS-50 is dominated by the induced effect and presenting larger charge density and electron-absorbing nature. Higher electrostatic potential difference with coal molecules, more hydrogen bonds, shorter bond length and larger bond angle are key factors to endorse FS-50 a better wetting and agglomerating performance. The C atom connected with the fluorocarbon tail chain of FS-3100 is linked to a carboxyl group with lone pair electrons. This carboxyl group enlarges the LUMO value of FS-3100 and weaken its ability to attract the electrons of coal particles. On the contrary, the lower LUMO value, lower band gap energy, and smoother spatial configuration jointly bring FS-50 better wetting and agglomerating ability.