4.7 Article

Density functional theory calculation of catalytic sulfidization on the azurite (011) surface by ammonium salts and its effect on flotation

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Engineering, Electrical & Electronic

Mechanism of photo-assisted atomic layer etching of chlorinated Si(111) surfaces: Insights from DFT/TDDFT calculations

Peizhi Wang et al.

Summary: This study investigates the role of plasma-generated photons in the atomic layer etching (ALE) process of chlorinated Si(111) surfaces using density functional theory (DFT) and time-dependent DFT calculations. The results show that chlorination can effectively reduce the energy barrier for removal of the targeted Si atomic layer, and the irradiation of plasma-generated photons further decreases the energy barrier for desorption. These findings provide fundamental understanding and guidance for the application of in-plasma photo-assisted ALE technique.

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2023)

Article Engineering, Chemical

Enhanced adsorption of sulfide and xanthate on smithsonite surfaces by lead activation and implications for flotation intensification

Qicheng Feng et al.

Summary: This study investigated the interaction between lead ions (Pb2+) and smithsonite surfaces, and its effect on the sulfidization characteristics and xanthate adsorption. The addition of Pb2+ greatly increased the smithsonite flotation recovery, as it promoted sulfidization and improved xanthate adsorption. This enhanced the hydrophobicity of the smithsonite surfaces, leading to increased flotation recovery.

SEPARATION AND PURIFICATION TECHNOLOGY (2023)

Article Mining & Mineral Processing

Role of ammonium sulfate in sulfurization flotation of azurite: Inhibiting the formation of copper sulfide colloid and its mechanism

Jinpeng Cai et al.

International Journal of Mining Science and Technology (2022)

Article Materials Science, Multidisciplinary

Enhanced sulfidization of azurite surfaces by ammonium phosphate and its effect on flotation

Qian Zhang et al.

Summary: This study demonstrates that the addition of ammonium phosphate and sodium sulfide enhances the sulfidization of azurite surfaces, improving the flotation performance of azurite in sulfidization-xanthate flotation.

INTERNATIONAL JOURNAL OF MINERALS METALLURGY AND MATERIALS (2022)

Article Engineering, Chemical

Orbital symmetry matching study on the interactions of flotation reagents with mineral surfaces

Jianhua Chen et al.

Summary: The selectivity of reagents to minerals is crucial, but the mechanism behind it is not fully understood. This study used density functional theory calculations to investigate the orbital symmetry matching between flotation reagents and metal ions on mineral surfaces. The results show that the symmetry matching plays a significant role in determining the collecting ability of the reagents.

MINERALS ENGINEERING (2022)

Review Mining & Mineral Processing

Flotation of copper oxide minerals: A review

Qicheng Feng et al.

Summary: This paper summarizes the surface properties and flotation behavior of copper oxide minerals, and reviews the flotation methods and interaction mechanism with reagents. Increasing active sites on the surface of copper oxide minerals is an effective way to achieve efficient flotation. Various perspectives for further research are proposed.

INTERNATIONAL JOURNAL OF MINING SCIENCE AND TECHNOLOGY (2022)

Article Mining & Mineral Processing

Adsorption behavior and mechanism of copper ions in the sulfidization flotation of malachite

Han Wang et al.

Summary: Pretreatment with an appropriate concentration of copper ions can improve the recovery rate of malachite, while an excessive amount of copper ions reduces the hydrophobicity of the malachite surface. Copper ion pretreatment also promotes sulfidization reactions and the formation of a sulfidization layer on the malachite surface.

INTERNATIONAL JOURNAL OF MINING SCIENCE AND TECHNOLOGY (2022)

Article Energy & Fuels

Theoretical insight into the effect of impurity on the acetoxylation of ethylene to form vinyl acetate: A DFT study of acetylene coversion on PdAu (100) surface

Weiwei Zhang et al.

Summary: Vinyl acetate is an important organic chemical material obtained from ethylene acetoxylation. The effect of acetylene on the vinyl acetate system was explored on the PdAu(100) surface using density functional theory. The results showed that acetylene is highly active on the surface and can undergo oxidation, hydrogenation, and polymerization reactions catalyzed by the Pd-Au catalyst. The oxidation reaction is the most likely to occur, leading to the simultaneous presence of CO2 and aldehydes in the reaction system.
Article Engineering, Chemical

Efficient separation of magnesite and quartz using eco-friendly Dimethylaminopropyl lauramide experimental and mechanistic studies

Panxing Zhao et al.

Summary: In this study, the flotation performance and adsorption mechanism of a novel cationic collector, DPLA, in the quartz-magnesite reverse flotation system were investigated. The results showed that DPLA had good selectivity for quartz at a concentration of 25 mg/L, leading to efficient separation of quartz and magnesite. The adsorption of DPLA on quartz surface was mainly driven by electrostatic force and hydrogen bonding interactions.

MINERALS ENGINEERING (2022)

Article Engineering, Chemical

Enhanced sulfidization flotation mechanism of smithsonite in the synergistic activation system of copper-ammonium species

Wenjuan Zhao et al.

Summary: Copper-ammonium species were introduced to improve surface sulfidization and flotation performance, showing superior activation compared to individual copper ions. This improved reactivity between the mineral surface and sulfide and xanthate species. The research results provide a potential technology for efficient recovery of zinc oxide minerals through sulfidization xanthate flotation.

MINERALS ENGINEERING (2022)

Article Mining & Mineral Processing

Sulfidization regulation of cuprite by pre-oxidation using sodium hypochlorite as an oxidant

Guang Han et al.

Summary: Using an oxidant to modify the cuprite surface was found to increase the efficiency of sulfidization reactions and enhance the flotation performance of cuprite.

INTERNATIONAL JOURNAL OF MINING SCIENCE AND TECHNOLOGY (2021)

Article Engineering, Chemical

The interaction of flotation reagents with metal ions in mineral surfaces: A perspective from coordination chemistry

Jianhua Chen

Summary: This paper proposes a perspective from coordination chemistry to clarify the interaction mechanism of reagents with mineral surfaces, introducing the 7C-backbonding model and emphasizing the crucial role of unoccupied orbitals in the selectivity of depressants.

MINERALS ENGINEERING (2021)

Article Engineering, Chemical

An ion-tolerance collector AESNa for effective flotation of magnesite from dolomite

Wengang Liu et al.

Summary: The study successfully separated magnesite and dolomite by using an ion-tolerance collector, which showed better collecting ability and selectivity under alkaline conditions and selectively inhibited approximately 15% recovery of dolomite by Ca2+. The mechanism analysis revealed that the collector had a high surface activity and complexed with Ca2+ by electrostatic interactions to prevent interference in the flotation process.

MINERALS ENGINEERING (2021)

Article Engineering, Chemical

Improving surface sulfidization of azurite with ammonium bisulfate and its contribution to sulfidization flotation

Qiuyue Sheng et al.

Summary: Using NH4HSO4 as an activator was found to enhance the sulfidization flotation of azurite, increase the adsorption of Na2S and NaBX, and improve the floatability of azurite by reducing CO32- and OH- content on the surface. X-ray photoelectron spectroscopy analysis confirmed the increase in copper sulfide content and improved sulfidation of azurite with NH4HSO4. Density functional theory calculations showed that the interaction between Na2S and azurite surface was strengthened by NH4HSO4.

MINERALS ENGINEERING (2021)

Article Engineering, Chemical

Sulfidization flotation performance of malachite in the presence of calcite

Cheng Liu et al.

MINERALS ENGINEERING (2019)

Article Metallurgy & Metallurgical Engineering

Mechanism and application on sulphidizing flotation of copper oxide with combined collectors

Wan-zhong Yin et al.

TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA (2019)

Article Chemistry, Physical

Activation mechanism of ammonium ions on sulfidation of malachite (-201) surface by DFT study

Dandan Wu et al.

APPLIED SURFACE SCIENCE (2017)

Article Chemistry, Physical

A first-principle study of the effect of vacancy defects and impurities on the adsorption of O2 on sphalerite surfaces

Jianhua Chen et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2010)

Review Physics, Condensed Matter

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)