4.6 Article

Molecular mechanism of the effect of benzene ring structure in nonionic surfactants on the wettability of anthracite

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DOI: 10.1016/j.colsurfa.2022.130634

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Anthracite; Wettability modification; Nonionic surfactants; Surfactant adsorption; Molecular dynamics simulation

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Reducing coal dust is crucial for environmental protection and energy efficiency, and the addition of surfactants to water can enhance the wetting ability of coal dust, leading to a more effective dust reduction effect.
Reducing coal dust is critical for environmental protection and energy efficiency, however anthracite has a high degree of coalification, high hydrophobicity, resulting in a poor dust removal effect. The addition of surfactants to water can improve the wetting of coal dust, resulting in a more effective dust reduction effect. In this investigation, Polyethylene glycol octyl phenyl ether (Triton X-100) and The lauryl polyoxyethylene ethers (C12(EO)9) were chosen as research subjects. Contact angle experience, Fourier Transform infrared spectroscopy experience (FTIR), and X-ray Photoelectron Spectroscopy experience (XPS) were used to compare the ability of two surfactants to improve the wettability of anthracite from a macro perspective. Molecular dynamics (MD) simulation was used to explain macroscopic experimental phenomena from a microscopic perspective. Due to the presence of the benzene ring structure in the hydrophobic group, the surface of anthracite following Triton X-100 adsorption is more hydrophilic. The network structure of Triton X-100 molecules on the surface of anthracite is loose owing to the presence of the benzene ring, which facilitates water molecule penetration.

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