Revealing the role of dithiocarbamate ester group in hydroxamic acid flotation of cassiterite with in situ AFM, DFT and XPS

Qi, Jianwei; Liu, Sheng; Yan, Dong

doi:10.1016/j.apsusc.2022.154521

Cited by 23 publications

(2 citation statements)

References 66 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%

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

show abstract

“…Many scholars have also developed a number of novel cassiterite collectors, for example, styryl phosphonate mono-iso-octyl ester (SPE108) [47], BTHA [209], styrene phosphonic acid (SPA) [210], and 2-carboxyethylphenylphosphinic acid (CEPPA) [211], and used experimental methods in conjunction with theoretical methods to study their effects Moreover, it was proven that some of the sulfhydryl minerophilic groups used for the flotation of sulfide minerals can be developed as preferable hydrophobic groups for the flotation of oxide minerals, e.g., cassiterite. For instance, Qi et al [208], taking carbon disulfide, octylamine, methyl acrylate, and hydroxylamine as raw materials, synthesized a special surfactant, S-[(3-hydroxyamino)-propoxy]-N-octyl dithiocarbamate (DTCHA), and uncovered the effects of the dithiocarbamate ester group in the hydroxamic acid flotation of cassiterite using AFM, XPS, FTIR, and DFT calculations. The self-assembled DTCHA aggregates are clearly observed on the surface of cassiterite, which suggests that the dithiocarbamate ester group, with its electrostatic interaction and electron-donating ability, might be another reaction center of DTCHA.…”

Section: Cassiteritementioning

confidence: 99%

Application of Quantum Chemistry in the Study of Flotation Reagents

Tang,

Chen,

Chen

et al. 2023

Minerals

View full text Add to dashboard Cite

Flotation reagents are significant for modifying the interfacial characteristics of mineral grains to achieve the effective separation of minerals. Since the 1960s, when quantum chemistry was first introduced into the study of flotation reagents, many achievements have been made, although some controversial topics remain. The application of quantum chemistry in the research of flotation reagents for the separation of various minerals in the past decade is herein comprehensively and systematically reviewed. The main directions and gaps of current research are pointed out, the theoretical basis for the design and development of novel flotation reagents is summarized, and more importantly, the potential for the targeting design and development of efficient, selective, and environmentally friendly flotation reagent molecules by means of quantum chemistry is explored.

show abstract

Preparation of a novel surfactant dibutyl (2-(hydroxyamino)-2-oxoethyl) phosphonate and its adsorption mechanism in cassiterite flotation

Xiao

Liu³

et al. 2023

J. Cent. South Univ.

View full text Add to dashboard Cite

Revealing the role of dithiocarbamate ester group in hydroxamic acid flotation of cassiterite with in situ AFM, DFT and XPS

Cited by 23 publications

References 66 publications

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

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

Application of Quantum Chemistry in the Study of Flotation Reagents

Preparation of a novel surfactant dibutyl (2-(hydroxyamino)-2-oxoethyl) phosphonate and its adsorption mechanism in cassiterite flotation

Contact Info

Product

Resources

About