DFT study of coadsorption of fatty acid and kerosene on fluorapatite (001) surface

• Autorzy: Du Weifan , Li Xianbo , Zhang Qin

Identyfikatory

DOI

10.37190/ppmp/161890

• Języki publikacji: EN

Abstrakty

EN

The adsorption of fatty acid, kerosene and fatty acid-kerosene on fluorapatite (001) surface were investigated by density functional theory (DFT) calculations. The results showed that the single fatty acid could form stable chemisorption on fluorapatite (001) surface by the O of fatty acids bonding with Ca1 site. The single kerosene could not be stably adsorbed on fluorapatite (001) surface because the H of kerosene did not form hydrogen bond with the O of PO₄^3- on (001) surface (O_surf). For the coadsorption conformation, the chemisorption of fatty acid-kerosene on fluorapatite (001) surface was contributed by the interaction between O of fatty acids and Ca1, the H of kerosene did not bond with the O_surf, but the carbon chain length of kerosene has a large influence on the coadsorption. Compared with the coadsorption of fatty acid-decane, the adsorption of butyric acid-tetradecane and octanoic acid-tetradecane on fluorapatite (001) surface have greater adsorption energies and overlapping region of DOS between O 2p and Ca 4d, indicating that there is a synergistic effect between fatty acid and tetradecane. Meanwhile, the collaborative effects exist between the molecules of fatty acids. The interpenetrating adsorption of fatty acid and kerosene on the fluorapatite surface could improve the adsorption strength and density. The flotation test further confirmed that the single kerosene could not collect fluorapatite, but it could be collected by the single fatty acid. Besides, the synergistic effect between fatty acid and kerosene could increase the flotation recovery of fluorapatite.

Słowa kluczowe

EN

fluorapatite surface; fatty acid; kerosene; coadsorption; DFT

• Wydawca: Oficyna Wydawnicza Politechniki Wrocławskiej
• Czasopismo: Physicochemical Problems of Mineral Processing
• Rocznik: 2023
• Tom: Vol. 59, iss. 1
• Strony: art. no. 161890
• Opis fizyczny: Bibliogr. 53 poz., rys., tab., wykr.

Twórcy

autor

Du Weifan

• Mining College, Guizhou University, Guiyang 550025, China

autor

Li Xianbo

• Mining College, Guizhou University, Guiyang 550025, China
• National & Local Joint Laboratory of Engineering for Effective Utilization of Regional Mineral Resources from Karst Areas, Guiyang 550025, China
• Guizhou Key Lab of Comprehensive Utilization of Nonmetallic Mineral Resources, Guiyang 550025, China

autor

Zhang Qin

• Guizhou Academy of Sciences, Guiyang 550001, China
• National & Local Joint Laboratory of Engineering for Effective Utilization of Regional Mineral Resources from Karst Areas, Guiyang 550025, China
• Guizhou Key Lab of Comprehensive Utilization of Nonmetallic Mineral Resources, Guiyang 550025, China

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Uwagi

This research was funded by the National key R&D project (2018YFE0110300).