Study of the difference in floatability between quartz and feldspar based on first principles

IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Chemical Physics Pub Date : 2025-01-17 DOI:10.1016/j.chemphys.2025.112612
Caixia Li , Yi Xu , Ruize Liu , Mingxuan Dou , Yang Bai , Zengchuan Yue , Qianyu Sun , Wanzhong Yin
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Abstract

For the initial time, this research juxtaposes the surface atomic activities of quartz and potassium feldspar, centering on their respective surface atomic relaxation distances. Findings indicate that on quartz surfaces, the primary adsorption locales are unsaturated Si atoms paired with dangling O atoms. Conversely, the feldspar surface’s key adsorption points involve tri-coordinated Al atoms alongside hanging O atoms. Water molecules on feldspar’s Al, K, and O sites form various bonds—covalent, ionic, and hydrogen. On the quartz counterpart, water molecules exclusively interact with Si and O atoms, with each Si atom accommodating a single water molecule, thus rendering the potassium feldspar’s surface more conducive to wetting—a finding corroborated by the contact angle experiments. Within a sodium oleate matrix, oleate anions link to quartz via hydrogen bonds, whereas they attach to feldspar surfaces forming mono-component rings through both covalent and ionic bonding.

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Chemical Physics
Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
4.60
自引率
4.30%
发文量
278
审稿时长
39 days
期刊介绍: Chemical Physics publishes experimental and theoretical papers on all aspects of chemical physics. In this journal, experiments are related to theory, and in turn theoretical papers are related to present or future experiments. Subjects covered include: spectroscopy and molecular structure, interacting systems, relaxation phenomena, biological systems, materials, fundamental problems in molecular reactivity, molecular quantum theory and statistical mechanics. Computational chemistry studies of routine character are not appropriate for this journal.
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