Emerging trends of computational chemistry and molecular modeling in froth flotation: A Review

A Alizadeh Sahraei, D Azizi, AH Mokarizadeh… - ACS Engineering …, 2023 - ACS Publications
Froth flotation is the most versatile process in mineral beneficiation, extensively used to
concentrate a wide range of minerals. This process comprises mixtures of more or less …

Novel application of depressant sodium mercaptoacetate in flotation separation of chalcopyrite and pyrite

X Qin, J Liu, Y Yu, J Hao, H Gao, D Li, L Dai - Advanced Powder …, 2023 - Elsevier
The development of flotation reagents with high selectivity and strong depression ability is of
great significance in the efficient enrichment of copper sulfide ores. In this work, a new …

Application of Quantum Chemistry in the Study of Flotation Reagents

X Tang, J Chen, Y Chen, SV Krivovichev - Minerals, 2023 - mdpi.com
Flotation reagents are significant for modifying the interfacial characteristics of mineral
grains to achieve the effective separation of minerals. Since the 1960s, when quantum …

Fenton oxidation modification mechanism of pyrite and its response to Cu-S flotation separation: Experiment, DFT, XPS and ToF-SIMS studies

Z Ding, M Chen, J Yuan, A Yu, H Dai, S Bai - Applied Surface Science, 2024 - Elsevier
Surface modification mechanism of pyrite via Fenton reagent and its response to Cu-S
flotation separation was examined in a low-alkaline system using micro-flotation …

Experimental and theoretical study of the effect of pH level on the surface properties and floatability of pyrite

K Jiang, Y Han, J Liu, Y Wang, W Ge, D Zhang - Applied Surface Science, 2023 - Elsevier
This study concentrated on a thorough surface investigation to ascertain how pH affected the
surface characteristics and floatability of pyrite. To assess the impact of pH on the adsorption …

Adsorption behaviors of dibutyl dithiophosphate and sodium-diisobutyl dithiophosphinate (3418A) on chalcopyrite: A combined experimental and theoretical study

Y Liu, J Chen, Y Li, M Ding, H Hu - Applied Surface Science, 2023 - Elsevier
Abstract Sodium-diisobutyl dithiophosphinate (3418A) is a new collector with good
selectivity for lead and copper ore, even better than dibutyl dithiophosphate (DTP). However …

A molecular analysis on nitrile-based collectors and their application to chalcopyrite flotation

B Taheri, F Rezaei, N Shadjou, A Hassanzadeh - Minerals Engineering, 2022 - Elsevier
In this research, one of the newest nitrile-based collectors so-called Tecflote-S10, was re-
structured to increase its application in the flotation of copper-bearing sulfide minerals. For …

Effects of Au doping on the adsorption of xanthate on pyrite surface in presence of H2O: A DFT study

Z Chang, B He, Y Luo, Z Shen, L Zou, Q Wang… - Minerals …, 2024 - Elsevier
Despite density functional theory (DFT) has been widely applied in the study of Au-doped
pyrite, effects of Au doping on the structural properties and floatability of pyrite still remain …

Electrochemical behavior of chalcocite exposed to 2-mercaptobenzothiazole aqueous solution

C Yu, W Dong, W Fu, W Zuo, B Guo - Applied Surface Science, 2022 - Elsevier
The flotation of copper bearing minerals is always a hot topic in the field of minerals
processing. In this paper, the adsorption of a flotation collector, 2-mercaptobenzothiazole …

BN-bicyclohexyl material for enhanced reversible dehydrogenation reaction for hydrogen storage: Density functional theory approach

YG Lee, DY Shin, CW Yoon, DH Lim - Applied Surface Science, 2023 - Elsevier
Hydrogen is considered as an environmentally friendly energy resource to replace fossil
fuels. This study aims to enhance the dehydrogenation efficiency of liquid organic hydrogen …