Dispersion and depression mechanism of sodium silicate on quartz: Combined molecular dynamics simulations and density functional theory calculations

被引：21
|
作者：
Hao, Haiqing [1 ]
Cao, Yijun [1 ]
Li, Lixia [2 ]
Fan, Guixia [1 ]
Liu, Jiongtian [1 ]
机构：
[1] Zhengzhou Univ, Sch Chem Engn, Zhengzhou 450001, Peoples R China
[2] Northeastern Univ, Sch Resources & Civil Engn, Shenyang 110819, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2021年 / 537卷
基金：
中国国家自然科学基金;
关键词：
Dispersion; Depression; Sodium silicate; Adsorption configuration; Quartz; ALKYL HYDROXAMIC ACID; FLOTATION SEPARATION; SOLUTION CHEMISTRY; FINE WOLFRAMITE; ADSORPTION; HEMATITE; COLLECTOR; FLUORITE; BEHAVIOR; CHARGE;
D O I：
10.1016/j.apsusc.2020.147926
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：
To investigate the dispersion and depression mechanism of sodium silicate on quartz, the distribution of sodium silicate at the solid-liquid surface and the detailed adsorption configurations of silicate species on quartz surface were studied by combined molecular dynamics simulations and density functional theory calculations. The results demonstrated that sodium silicate formed a dense adsorption layer on quartz. The stable adsorption layer prevented Ca2+, Mg2+, and collector from contacting quartz. The solution chemistry showed that SiO(OH)(3)(-) and Si(OH)(4) were the main species for the adsorption of sodium silicate on the quartz surface. Both the strong hydrogen bond and the covalent bond were the main driving forces. Meanwhile, the adsorption of electronegative species increased the electronegativity of quartz and enhanced the dispersion of quartz. The dispersion and depression of the quartz in sodium silicate solution were realized.
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页数：9
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