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

Hao, Haiqing; Cao, Yijun; Li, Lixia; Fan, Guixia; Liu, Jiongtian

doi:10.1016/j.apsusc.2020.147926

Cited by 22 publications

(10 citation statements)

References 49 publications

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“…That colloids tend to occur in silicate-treated systems should not be surprising; sodium silicates have been used widely as sequestrants for controlling color and turbidity due to iron or manganese. , Sodium silicates reduce the negative aesthetic impacts of iron by imparting iron (oxyhydr)oxide particles with a negative surface chargepreventing aggregation − or by complexing with iron . The dispersive effects of sodium silicate could very well enhance the mobility of lead by promoting colloid formation.…”

Section: Resultsmentioning

confidence: 99%

Effectiveness of Sodium Silicates for Lead Corrosion Control: A Critical Review of Current Data

Trueman

Doré

et al. 2021

Environ. Sci. Technol. Lett.

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Orthophosphate is commonly used to control lead release to drinking water, but it is a potential source of nutrient pollution and can increase the concentration of particulate and colloidal lead. Given these drawbacks, there is considerable interest in alternative corrosion control treatments. While less common than orthophosphate, sodium silicate is recognized as a treatment for controlling lead release to drinking water. But there is no consensus in the scientific literature as to whether it is effective. Here, we conduct a data summary of the peer-reviewed literature pertaining to silicate-based corrosion control of lead. We find that silicate treatment generally accompanied higher lead release than the equivalent (pH-matched) system without sodium silicate (0.5−21.5 times higher). Moreover, silicate treatment was inferior to orthophosphate treatment; sodium silicate accompanied 1.0−65 times more lead release than the equivalent orthophosphatetreated system. Sodium silicate's positive effect on pH, then, appears to be the main driver of lead release control. While it is possible that under some circumstances silicate treatment promotes formation of a solid phase that either limits equilibrium solubility or slows lead release, the mechanism has not been described precisely.

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Section: Resultsmentioning

confidence: 99%

Effectiveness of Sodium Silicates for Lead Corrosion Control: A Critical Review of Current Data

Trueman

Doré

et al. 2021

Environ. Sci. Technol. Lett.

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“…The reason for the good performance was that the sodium silicate was not only adhered physically to the fibers, but the SiO 2 and Fe 2 O 3 were adsorbed onto the surface through chemical, electrostatic, and hydrogen bonding interactions. Therefore, the SiO 2 was strongly bound to the SSF [ 43 , 44 , 45 ].…”

Section: Resultsmentioning

confidence: 99%

Synthesis of Si-Based High-Efficiency and High-Durability Superhydrophilic-Underwater Superoleophobic Membrane of Oil–Water Separation

Fang

Chen

et al. 2021

Materials

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Oil pollution is caused by the frequent discharge of contaminated industrial wastewater and accidental oil spills and is a severe environmental and health concern. Therefore, efficient materials and processes for effective oil–water separation are being developed. Herein, SiO2-Na2SiO3-coated stainless steel fibers (SSF) with underwater superoleophobic and low-adhesion properties were successfully prepared via a one-step hydrothermal process. The modified surfaces were characterized with scanning electron microscopy (SEM), and contact angle measurements to observe the surface morphology, confirm the successful incorporation of SiO2, and evaluate the wettability, as well as with X-ray diffraction (XRD). The results revealed that SiO2 nanoparticles were successfully grown on the stainless-steel fiber surface through the facile hydrothermal synthesis, and the formation of sodium silicate was detected with XRD. The SiO2-Na2SiO3-coated SSF surface exhibited superior underwater superoleophobic properties (153–162°), super-hydrophilicity and high separation efficiency for dichloromethane–water, n-hexane–water, tetrachloromethane–water, paroline–water, and hexadecane–water mixtures. In addition, the as-prepared SiO2-Na2SiO3-coated SSF demonstrated superior wear resistance, long-term stability, and re-usability. We suggest that the improved durability may be due to the presence of sodium silicate that enhanced the membrane strength. The SiO2-Na2SiO3-coated SSF also exhibited desirable corrosion resistance in salty and acidic environments; however, further optimization is needed for their use in basic media. The current study presents a novel approach to fabricate high-performance oil–water separation membranes.

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“…The peaks within 3.5 Å mainly indicate the existence of chemical bonds or hydrogen bonding between the substances. The peaks beyond 3.5 Å mainly indicate that the interaction between substances is Coulombic force or van der Waals force [41,42]. Figure 6 shows the atomic radial distribution of four metal oxides during the interaction with ChCl-2MA.…”

Section: Radial Distribution Functionmentioning

confidence: 99%

“…Waals force [41,42]. Figure 6 shows the atomic radial distribution of four metal oxides during the interaction with ChCl-2MA.…”

Section: Radial Distribution Functionmentioning

confidence: 99%

Molecular Dynamics Study on the Leaching of Zinc-Bearing Dust Sludge by Choline Chloride-Malonic Acid

et al. 2021

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Molecular dynamics of the interaction between four metal oxides (ZnO, Fe2O3, Al2O3, and CaO) present in zinc-bearing dust sludge and choline chloride (ChCl)-malonic acid (MA)(1:2) was studied in this work using Materials Studio software. The interaction mechanism was revealed by analyzing the interaction energy and radial distribution function from the perspective of quantum mechanics, and the simulation results were verified by single factor leaching experiments. The calculation results show that the complete cleavage surface of the four metal oxides is the (001) surface, and ChCl-2MA forms a stable structure with multiple intermolecular hydrogen bonds centered on the chlorine atom. The dynamic simulation of the interaction model shows that strength of interaction between ChCl-2MA and the four metal oxides follows the order: ZnO > Fe2O3 > Al2O3 > CaO. ChCl-2MA mainly interacts with ZnO by chemical adsorption, while ChCl-2MA mainly interacts with Fe2O3, Al2O3, and CaO by physical adsorption. The radial distribution function shows that Cl in ChCl-2MA and C=O in MA form chemical bonds with Zn in ZnO, and the choline cation (Ch+) forms C-H···O with ZnO. Among these bonds, the Cl-Zn bond energy is stronger. During the interaction between ChCl-2MA and Fe2O3 and Al2O3, O-H···O and C-H···O are formed and interact with CaO by van der Waals force. Single factor leaching experiments show that, under the same leaching conditions, the leaching rate of ZnO by ChCl-2MA is greater than 90%, while the leaching rate of Fe2O3, Al2O3, and CaO is about 10%. These results indicate good selectivity of ChCl-2MA for ZnO in the zinc-bearing dust sludge. The above conclusions have important theoretical significance and provide an in-depth understanding of the leaching mechanisms of zinc-bearing dust sludge in deep eutectic solvents.

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

Cited by 22 publications

References 49 publications

Effectiveness of Sodium Silicates for Lead Corrosion Control: A Critical Review of Current Data

Effectiveness of Sodium Silicates for Lead Corrosion Control: A Critical Review of Current Data

Synthesis of Si-Based High-Efficiency and High-Durability Superhydrophilic-Underwater Superoleophobic Membrane of Oil–Water Separation

Molecular Dynamics Study on the Leaching of Zinc-Bearing Dust Sludge by Choline Chloride-Malonic Acid

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