Interaction of Ca2+, Mg2+with dolomite (104) surface and its effect on caproic acid adsorption: DFT calculation

被引：23
作者：
Gao, Wenxin [1 ]
Zhang, Qin [2 ,3 ,4 ]
Li, Xianbo [1 ,3 ,4 ]
机构：
[1] Guizhou Univ, Min Coll, Guiyang 550025, Peoples R China
[2] Guizhou Acad Sci, Guiyang 550001, Peoples R China
[3] Natl & Local Joint Lab Engn Effect Utilizat Reg Mi, Guiyang 550025, Peoples R China
[4] Guizhou Key Lab Comprehens Utilizat Nonmet Mineral, Guiyang 550025, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2023年 / 614卷
关键词：
Dolomite; Dissolved ion; Caproic acid; Surface adsorption; DFT; FLOTATION BEHAVIOR; COLLECTOR; SEPARATION; MAGNESITE; CALCITE;
D O I：
10.1016/j.apsusc.2022.156244
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Ca2+ and Mg2+ are unavoidable ions in the flotation pulp of phosphate ore, but its influence mechanism on flotation of dolomite is unclear. In this study, the adsorption of caproic acid on dolomite (1 04) surface in the absence and presence of Ca2+ and Mg2+ was investigated by density functional theory (DFT) calculation. The results show that the caproic acid could stably adsorb on the surface of dolomite by chemical adsorption and hydrogen bond. Ca2+ could be adsorbed on dolomite surface by bonding with O(surf), meanwhile the O(surf) experienced a significant relaxation. The caproic acid could interact with O(surf) using Ca2+ as the medium to form a more stable structure, both O of caproic acid and O(surf) could form sigma bond and a weak pi bond with Ca2+, respectively. The zeta potential and contact angle measurements further showed Ca2+ could promote the adsorption of the fatty acid on the surface of dolomite and increase the surface hydrophobicity to enhance the flotation effect. Mg2+ did not bond with O(surf), and not affect the adsorption of the fatty acid on dolomite surface and the flotation effect.
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页数：11
相关论文
共 33 条
[11]   Flotation behavior and electronic simulations of rare earth minerals in the presence of dolomite supernatant using sodium oleate collector [J].
Espiritu, E. R. L. ;
da Silva, G. R. ;
Azizi, D. ;
Larachi, E. ;
Waters, K. E. .
JOURNAL OF RARE EARTHS, 2019, 37 (01) :101-112
[12]   Collecting Agent-Mineral Interactions in the Reverse Flotation of Iron Ore: A Brief Review [J].
Fan, Guixia ;
Wang, Liguang ;
Cao, Yijun ;
Li, Chao .
MINERALS, 2020, 10 (08) :1-22
[13]  
[付博 Fu Bo], 2019, [矿冶工程, Mining and Metallurgical Engineering], V39, P69
[14]   STUDY OF DOLOMITE SURFACE STABILITY BY DFT APPROACH CONSIDERING DEFECTS [J].
Hernandez-Bravo, Raiza .
JOURNAL OF POROUS MEDIA, 2017, 20 (11) :1031-1041
[15]   Effects of common ions on the flotation of fluorapatite and dolomite with oleate collector [J].
Huang, Wenxuan ;
Liu, Wenbiao ;
Zhong, Wenlin ;
Chi, Xiaopeng ;
Rao, Feng .
MINERALS ENGINEERING, 2021, 174
[16]   Flotation separation of quartz from collophane using an amine collector and its adsorption mechanisms [J].
Li, Xianbo ;
Zhang, Qin ;
Hou, Bo ;
Ye, Junjian ;
Mao, Song ;
Li, Xianhai .
POWDER TECHNOLOGY, 2017, 318 :224-229
[17]   The effects of Ca(II) and Mg(II) ions on the flotation of spodumene using NaOL [J].
Liu, Weijun ;
Zhang, Shiqiu ;
Wang, Weiqing ;
Zhang, Jie ;
Yan, Wu ;
Deng, Jie ;
Feng, Qiming ;
Huang, Yang .
MINERALS ENGINEERING, 2015, 79 :40-46
[18]   Selective Flotation of Quartz from Hematite by Amide-Amine: Fundamental Studies [J].
Rocha, Geriane Macedo ;
de Assis Silva, Joyce ;
da Silva Ramos, Kerollan ;
Lima, Rosa Malena Fernandes .
MINING METALLURGY & EXPLORATION, 2021, 38 (05) :2195-2207
[19]   Effects of Metal Ions on the Flotation of Apatite, Dolomite and Quartz [J].
Ruan, Yaoyang ;
Zhang, Zeqiang ;
Luo, Huihua ;
Xiao, Chunqiao ;
Zhou, Fang ;
Chi, Ruan .
MINERALS, 2018, 8 (04)
[20]   Hydration of magnesite and dolomite minerals: new insights from ab initio molecular dynamics [J].
Semmeq, Abderrahmane ;
Foucaud, Yann ;
El Yamami, Najoua ;
Michailovski, Alexej ;
Lebegue, Sebastien ;
Badawi, Michael .
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2021, 631
1234