Investigating the performance of a novel polyamine derivative for separation of quartz and hematite based on theoretical prediction and experiment

Liu, Wenbao; Zhao, Qiang; Peng, Xiangyu; Wang, Benying; Zhou, Shijie; Zhao, Liang

doi:10.1016/j.seppur.2019.116370

Cited by 38 publications

(11 citation statements)

References 39 publications

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“…1,8 The adsorption energy of the collector DDA on the surface of hydrated quartz further confirmed the above results, and the adsorption of DDA on the hydrated surface of quartz is more favorable in thermodynamics than that of hydrated goethite. The adsorption energy of RNH 3 + on the hydrated surface of quartz was −101.6 kcal/ mol, reported by Liu et al 10 In our previous study, the adsorption energies of RNH 3 + and RNH 2 adsorbed on the hydrated surface of quartz were −51.0 and −2.8 kcal/mol, respectively, based on the same calculation parameters. 24 The adsorption configuration of RCO 2 − on the hydrated surface of goethite is shown in Figure 7c.…”

Section: ■ Experimental Sectionsupporting

confidence: 68%

“…At present, the research on the flotation mechanism of the oxidized iron ore mainly focuses on hematite with extensive consideration of the influence of the solution environment. Liu et al 10 simulated the adsorption process of polyamine derivatives on the hydration interface of hematite under acidic conditions. Also, neutral conditions were considered in the study of the separation mechanism of hematite and quartz with DDA as the collector.…”

Section: ■ Introductionmentioning

confidence: 99%

“…In contrast, in the DDA system shown in Figure a, the collector DDA is weak at collecting iron oxide minerals, and it purifies the iron oxide mineral by reversely collecting quartz. Numerous previous studies reported that amine collectors exhibited excellent flotation performance in the flotation of desilication and aluminum silicate minerals. − …”

Section: Introductionmentioning

confidence: 99%

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Effects of the Goethite Surface Hydration Microstructure on the Adsorption of the Collectors Dodecylamine and Sodium Oleate

et al. 2021

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Dodecylamine (DDA) and sodium oleate (OL) are commonly used collectors in the reverse flotation and the direct flotation of goethite. However, the flotation mechanisms of DDA and OL on the goethite surface remain unclear. In this study, the first-principles density functional theory calculations were used to reveal the role of the hydration of the goethite surface and its effects on flotation reagents from a microscopic perspective. The calculation results showed that DDA was adsorbed on the surface of goethite by hydrogen bonds in the absence of hydration. However, the existence of the hydration microstructure hindered the formation of hydrogen bonds and made it difficult for DDA to be adsorbed on the goethite surface. In the OL system, oleate ions are chemically adsorbed on the surface Fe sites of goethite in the absence of hydration, while in the presence of hydration, the oleate ions were adsorbed on the H-terminal hydration surface of goethite by hydrogen bonds. This work sheds new light on the roles of the hydration microstructure and the adsorption mechanism of the flotation reagent on the oxide minerals.

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Section: ■ Experimental Sectionsupporting

confidence: 68%

Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Effects of the Goethite Surface Hydration Microstructure on the Adsorption of the Collectors Dodecylamine and Sodium Oleate

et al. 2021

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“…In addition, a second -NH 2 functional group could be inserted into the molecular structure, forming ether diamines. It is expected that ether diamines have higher solubility and selectivity compared with ether monoamines because the former has two hydrophilic moieties in one molecule [62]. Araujo, et al [9] reported that ether diamines would exhibit superior selectivity in coarse silicate particle flotation.…”

Section: Equilibriamentioning

confidence: 99%

Collecting Agent–Mineral Interactions in the Reverse Flotation of Iron Ore: A Brief Review

et al. 2020

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Froth flotation has been widely used in upgrading iron ores. Iron ore flotation can be performed in two technical routes: direct flotation of iron oxides and reverse flotation of gangue minerals with depression of iron oxides. Nowadays, reverse flotation is the most commonly used route in iron ore flotation. This review is focused on the reverse flotation of iron ores, consisting of reverse cationic flotation and reverse anionic flotation. It covers different types of collecting agents used in reverse iron ore flotation, the surface characteristics of minerals commonly present in iron ores (e.g., iron oxides, quartz, alumina-bearing minerals, phosphorus-bearing minerals, iron-bearing carbonates, and iron-bearing silicates), and the adsorption mechanisms of the collecting agents at the mineral surface. The implications of collecting agent–mineral interactions for improving iron ore flotation are discussed.

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“…With the development of computers, molecular dynamics (MD) simulations have been widely used to study dynamic and micro behaviors in many fields. − Compared with experimental methods, computer simulations can precisely obtain structural details for an improved understanding. Researchers have been able to study surfactant adsorption morphology and energy at an atomic level.…”

Section: Introductionmentioning

confidence: 99%

Experimental and Molecular Dynamics Simulation Study on the Effects of the Carbon Chain Length of Gemini Surfactants on the Inhibition of the Acid-Rock Reaction Rate

2021

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A series of gemini surfactants were synthesized to examine their adsorption properties. The properties of gemini surfactants, including critical micelle concentration, electrostatic potential distributions, charge, occupied volume, lowest unoccupied molecular orbital (LUMO), and highest occupied molecular orbital (HOMO), were evaluated using conductivity and density functional theory (DFT) calculations. The calculation results indicated that the electrostatic potential distributions were similar among the four gemini surfactants. Moreover, surfactants with longer carbon chains are more likely to be oblique on the rock surface according to the energy gap between the HOMO of the surfactants and the LUMO of the calcite surface. Experimental tests and molecular dynamics (MD) simulations were conducted to analyze the calcite–surfactant interactions. Combined with the free energy (ΔG) based on the contact angle and adsorption energy (E) based on MD simulation, the adsorption ability increases as the carbon chain length decreases. MD simulation is used to understand the form of surfactant molecules on the calcite at an atomic scale at different times. An obvious aggregation of gemini surfactants was found with an increase in the carbon chain length, which reduces the adsorption density and covered area of the surfactant. The adsorption behavior of the gemini surfactant is beneficial for isolating H+ transfer and retarding the acid reaction with the rock. The retarding ability and etching morphology were studied by acid etching. The acid-rock reaction rate showed that 12-4-12 had the best inhibition performance. Meanwhile, the uneven surface pattern following 12-4-12 etching is beneficial for maintaining the acid fracturing conductivity.

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Investigating the performance of a novel polyamine derivative for separation of quartz and hematite based on theoretical prediction and experiment

Cited by 38 publications

References 39 publications

Effects of the Goethite Surface Hydration Microstructure on the Adsorption of the Collectors Dodecylamine and Sodium Oleate

Effects of the Goethite Surface Hydration Microstructure on the Adsorption of the Collectors Dodecylamine and Sodium Oleate

Collecting Agent–Mineral Interactions in the Reverse Flotation of Iron Ore: A Brief Review

Experimental and Molecular Dynamics Simulation Study on the Effects of the Carbon Chain Length of Gemini Surfactants on the Inhibition of the Acid-Rock Reaction Rate

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