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

• Published in: Colloids and surfaces. A, Physicochemical and engineering aspects Vol. 657; p. 130634
• Main Authors: Li, Jiajun, Yan, Guochao, Zhou, Li, Bai, Xuyang, Chen, Xuanlai
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 20.01.2023
• Subjects: adsorption; Anthracite; benzene; coal; contact angle; dust; energy efficiency; environmental protection; Fourier transform infrared spectroscopy; hydrophilicity; hydrophobicity; molecular dynamics; Molecular dynamics simulation; Nonionic surfactants; octoxynol; Surfactant adsorption; wettability; Wettability modification; X-ray photoelectron spectroscopy; Surfactant adsorption; Nonionic surfactants; Wettability modification; Molecular dynamics simulation; Anthracite
• ISSN: 0927-7757; 1873-4359
• DOI: 10.1016/j.colsurfa.2022.130634

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. [Display omitted]