Quantum Mechanics Simulation on Adsorption Behavior and Flotation Mechanism of Combined Sodium Oleic Acid and Oleamide onto Fluorapatite Surface in an Aqueous Environment

Jong, Kwang Sok; Kim, Chang Il; Kim, Song Chol; Jang, Kum Chon; Jang, Hyon Hui

doi:10.22044/jme.2025.14708.2781

Document Type : Original Research Paper

Authors

¹ Faculty of Mining Engineering, Kim Chaek University of Technology, Pyongyang, DPR Korea

² Kim Chaek University of Technology, Pyongyang, DPR Korea

https://doi.org/10.22044/jme.2025.14708.2781

Abstract

In this study, the effects of various reagents-sodium carbonate and sodium hydroxide as pH regulators, calcium lignosulfonic acid as depressant, and combined sodium oleate and amide as collector on the flotation of apatite ore were investigated using flotation experiments, and adsorption mechanism of collector on apatite surface were evaluated using quantum mechanical simulations. The flotation experiments showed that the addition of 4 kg/t sodium carbonate and 1.5 kg/t sodium hydroxide as pH regulators, 3 kg/t calcium lignosulfonic acid as depressant and 60 g/t combined sodium oleic acid and oleamide (acid number of collector; 105 mgKOH/g) as collector exhibited excellent collecting ability for apatite. From low-grade apatite ore with P₂O₅ 7.05%, a concentrate with P₂O₅ 31.42% was obtained with 81.08% recovery in rougher flotation. Compared with the simulation results for the interaction energy between apatite {001} surface and collectors, and the relative concentration of collector on apatite {001} surface, adsorption strength has following order; combined sodium oleic acid and oleamide > sodium oleic acid > oleamide. From the simulation results on the equilibrium configuration of the collector with the fluorapatite {001} surface in the liquid environment, it was revealed that the two atoms (N and H) of the oleamide can form a strong bidentate conformation, and O atom in the C-O group and that in -C=O group of oleic acid anion can bond with the Ca atom on the surface {001} to form monodentate conformation.

Keywords

Main Subjects

Flotation

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Journal of Mining and Environment

Quantum Mechanics Simulation on Adsorption Behavior and Flotation Mechanism of Combined Sodium Oleic Acid and Oleamide onto Fluorapatite Surface in an Aqueous Environment

References

References

Volume 16, Issue 4
July and August 2025
Pages 1153-1163

Quantum Mechanics Simulation on Adsorption Behavior and Flotation Mechanism of Combined Sodium Oleic Acid and Oleamide onto Fluorapatite Surface in an Aqueous Environment

References

References

Volume 16, Issue 4July and August 2025Pages 1153-1163

Volume 16, Issue 4
July and August 2025
Pages 1153-1163