The investigation of wetting and agglomerating mechanism of short-chain fluorocarbon surfactant in coal dust suppression from macro and molecular scales
ID:188
Submission ID:371 View Protection:ATTENDEE
Updated Time:2024-05-15 17:38:17
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Oral Presentation
Abstract
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.
Keywords
short-chain fluorocarbon surfactant; molecular dynamics simulation; electrostatic potential energy; wind tunnel experiment; frontier orbital theory
Submission Author
旭涵 丁
西安科技大学
振敏 罗
Xi’an University of Science and Technology
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