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

Taheri, Bijan; Rezaei, Farideh; Shadjou, Nasrin; Hassanzadeh, Ahmad

doi:10.1016/j.mineng.2022.107763

Cited by 5 publications

(1 citation statement)

References 70 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…FMOs and the HOMO–LUMO gap (HLG, Δ E ) have been widely used to evaluate the ability of collectors to act as an electron donor or acceptor and to react with metal sites. ,, Figure displays that with the progress of the deprotonation the E HOMO and E LUMO of BETX increase, which means that its ability to give electrons increases, while the ability to obtain electrons decreases. Compared with traditional sulfide collectors SIBX and IBETC, BETX – , the main existing form of BETX in solution, has the narrowest HLG and the lowest E LUMO , which means that BETX – has the strongest reactivity and the ability to accept electrons.…”

Section: Results and Discussionmentioning

confidence: 99%

A Novel Bipolar Surfactant, BETX, for Selective Flotation of Chalcopyrite: Folding-Synergistic Mechanism Based on Intramolecular Weak Interactions

Lin,

Yang,

Wang

et al. 2024

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

Surfactants with multiple polar groups have shown promising applications, while the molecular mechanism that distinguishes them from conventional surfactants remains unclear. Herein, a novel surfactant, BETX, which contains two polar groups was designed, and the effect of intramolecular interaction on its molecular mechanism was elucidated. MD simulations, DFT calculations, and UV spectroscopy revealed that the BETX molecules fold due to π−π stacking and various other weak interactions, which enhances the binding ability of BETX to Cu 2+ while reducing that to Fe 3+ . Interestingly, the synergism of ionic xanthate groups and nonionic thionocarbamate groups enables the thionocarbamate groups to react with Cu 2+ in aqueous solutions. This selective synergistic behavior endowed BETX with excellent selective flotation ability for chalcopyrite, with a dosage an order of magnitude lower than that of traditional collectors. ToF-SIMS, FTIR, and XPS demonstrated that BETX interacts with chalcopyrite through the xanthate group and the deprotonated thionocarbamate group. Each N and S atom in the molecule can form chemical bonds with copper sites. Comparative assessments of Cu 2+ binding between unfolded bipolar surfactants with rigid structures have confirmed the reinforcing effect of folding synergism in BETX molecules. The revelation of this intramolecular folding-synergistic mechanism holds profound significance, offering crucial insights into the operational mechanisms of multipolar surfactants and facilitating precise molecular design for future advancements.

show abstract

Section: Results and Discussionmentioning

confidence: 99%