Adsorption of nitrogen-containing compounds on hydroxylated α-quartz surfaces

Tsendra, Oksana; Boese, A. Daniel; Isayev, Olexandr; Gorb, Leonid; Scott, Andrea Michalkova; Hill, Frances C.; Ilchenko, Mykola; Лобанов, В. В.; Leszczyńska, Danuta; Leszczyński, Jerzy

doi:10.1039/c9ra07130j

Cited by 3 publications

(2 citation statements)

References 65 publications

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“…The interaction between quartz surface and reagent adsorption is also reported, for example, various nitrogen-containing compounds on the hydroxylated α-quartz (001) and ( 100) surfaces are computed. Here the 2,4,6-trinitrotoluene (TNT) and 4dinitrotoluene (DNT) are preferably adsorbed on the (001) surface of α-quartz, while 3-nitro-1,2,4triazole-5-one (NTO) is located on both α-quartz surfaces (Tsendra et al, 2019). The DFT study revealed the depression mechanism of citric acid (CA) in sodium oleate flotation of Ca2+-activated quartz.…”

Section: Introductionmentioning

confidence: 99%

Effect of Na+, Ca2+ on the hydration properties of quartz surface: a molecular dynamics simulation study

Liu¹,

Min²,

Liu³

et al. 2022

Physicochem. Probl. Miner. Process.

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Effects of metal ions on the surface hydration of fine quartz are investigated by the theoretical methodologies. The hydration layer on the quartz surface consists of three layers of water molecules, about 8-10 Å. The interaction energy of ions changes from -1.071 eV in water to -1.821 eV (Na + ) and -1.896 eV (Ca 2+ ) when ions are present. Metal ions improve the interaction of water molecules with the quartz surface, allowing more water molecules to enter the second and third hydration layers. In the presence of Na + , the diffusivity of water molecules is greater than in Ca 2+ solutions. Increased interaction between water molecules and surfaces in the order Ca 2+ > Na + is consistent with metal ions' propensity to hydrate.

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Section: Introductionmentioning

confidence: 99%

Effect of Na+, Ca2+ on the hydration properties of quartz surface: a molecular dynamics simulation study

Liu¹,

Min²,

Liu³

et al. 2022

Physicochem. Probl. Miner. Process.

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show abstract

“…Reagent interactions with quartz surfaces are also described, for example, the effects of various nitrogen-containing compounds on the hydroxylated α-quartz (001) and (100) surfaces. Wherein, 2,4,6-trinitrotoluene (TNT) and 2,4-dinitrotoluene (DNT) are preferably adsorbed on the α-quartz(001) surface, while 3-nitro-1,2,4-triazole-5-one (NTO) is found on both α-quartz surfaces (Tsendra et al 2019). When encountering macromolecules or large systems simulation, the dynamic statistical properties of mineral-water molecules (Li et al 2018;Yu et al 2021;Wang, Ren, and Yan 2021) interface interactions can be simulated and analyzed by the MD method.…”

Section: Introductionmentioning

confidence: 99%

Experimental study on the effect of ions on the surface hydration characteristics of fine quartz

Liu¹,

Min²,

Liu³

et al. 2022

Physicochem. Probl. Miner. Process.

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The fine quartz particle hydration and effects of metal ions on the hydration characteristics of fine quartz surface are investigated using the rheological experiment. Several important factors affecting hydration factors, such as particle sphericity, solution pH, ion species, ion concentration were investigated. The results show that viscosity and hydration factor of fine quartz suspension increase with the increase of solution pH. wherein quartz particles have more negative charges on the surface in alkaline environment and strong hydration repulsion; The introduction of metal ions enhances the hydration strength of fine quartz surface to a certain extent. In contrast, high valence and high concentration will increase the viscosity of fine quartz suspension, and the hydration factors of particle surface also increase. At the same ion concentration, the order of influence on the hydration factors of fine quartz particles is Mg 2+ > Ca 2+ > Na + > K + . This finding has been attributed to the combination of metal ion hydration and its adsorption on the mineral surface. This study will provide the theoretical guiding significance for the refractory coal slime water and other mineral processing wastewater containing quartz particles.

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Research advancement of efficient flotation separation technologies for magnesium-containing minerals

Yao,

Ban,

Xie

et al. 2024

Green and Smart Mining Engineering

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Adsorption of nitrogen-containing compounds on hydroxylated α-quartz surfaces

Abstract: Adsorption energies of different nitrogen-containing compounds on two hydroxylated (001) and (100) quartz surfaces are computed.

Cited by 3 publications

References 65 publications

Effect of Na<sup>+</sup>, Ca<sup>2+</sup> on the hydration properties of quartz surface: a molecular dynamics simulation study

Effect of Na<sup>+</sup>, Ca<sup>2+</sup> on the hydration properties of quartz surface: a molecular dynamics simulation study

Experimental study on the effect of ions on the surface hydration characteristics of fine quartz

Research advancement of efficient flotation separation technologies for magnesium-containing minerals

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