A new understanding of the adsorption mechanism of oleate on cassiterite surfaces is presented by density functional theory (DFT) calculations. Various convergence tests were conducted to optimize the parameter settings for the rational simulation of cassiterite bulk unit cell and surface slabs. The calculated surface energies of four low-index cassiterite cleavage planes form an increasing sequence of (110) < (100) < (101) < (001), demonstrating (110) is the most thermodynamically stable surface of cassiterite. The interaction strengths of the oleate ion (OL⁻), OH⁻, and H₂O on the SnO₂ (110) face are in the order of H₂O < OH⁻ < OL⁻, which reveals that the OL⁻ is able to replace the adsorbed H₂O and OH⁻ on the mineral surfaces. Mulliken population calculations and electron density difference analysis show that electrons transfer from the Sn atoms on the cassiterite (110) surface to the O atoms offered by carboxyl groups of oleate during the interaction. The populations of newly formed O1–Sn1 and O2–Sn2 bonds are 0.30 and 0.29, respectively, indicating that these two bonds are of a very low covalency. Density of states analysis reveals that the formation of an O1–Sn1 bond mainly results from the 5s and 5p orbitals of the Sn1 atom and the 2p orbital of the O1 atom.

Lithium-bearing polymetallic pegmatite ores are an important raw material for lithium extraction. They contain not only lithium but also other associated elements such as beryllium, tantalum, and niobium, with great recovery values. It is therefore often called lithium-bearing polymetallic pegmatite ore (LPPO). The recovery and utilization of Be-bearing minerals in LPPOs have yet to be further studied. This paper briefly expounds the geological aspects of LPPO deposits in China and Chinese experiences on the beneficiation of LPPOs, with special emphasis on the flotation separation of lithium-beryllium minerals. In LPPO, spodumene is the main target mineral for lithium, while beryl is the main Be-bearing mineral in a fine-grained embedded state. If the BeO grade of LPPO is greater than the industrial grade (BeO ≥ 0.04%), it will be processed for recovery. Tantalum and niobium minerals are mainly in the form of tantalite, columbite, or ferrotapiolite, which may be recovered by gravity separation or magnetic separation. Gangue minerals are mainly composed of albite and quartz. Currently, the most commonly used methods for separating the target minerals from gangue are dense medium separation and flotation. The manual sorting method has become obsolete and is expected to be replaced by machine sorting methods such as color sorters and X-ray transmission sorters. Flotation is the main method for the separation of fine-grained beryl and spodumene. The success of flotation depends on the selection of suitable pretreatment methods and appropriate flotation reagents for altering the surface properties of spodumene and beryl and for expanding the floatability differences between spodumene and beryl and between spodumene and gangue.

A novel collector, 2-carboxyethylphenylphosphinic acid (CEPPA), was first used in the flotation of cassiterite. The flotation performances and the adsorption mechanism of CEPPA on cassiterite were investigated by flotation tests, adsorption experiments, zeta potential measurements, Fourier-transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) analyses. The results indicated that CEPPA had strong collecting power for cassiterite and fluorite over a wide pH range but little on quartz. In the separation of the cassiterite–quartz mixture, a concentrate containing 90.9% SnO₂ was obtained with a recovery of 95.7% at pH 7.0. The cassiterite in the cassiterite–fluorite mixture could be effectively separated using 300 mg/L sodium silicate in conjunction with 60 mg/L CEPPA, and a concentrate with a grade of 90.3% SnO₂ and a recovery of 92.6% was achieved at neutral pH. Zeta potential analysis demonstrated that the adsorption process involved both physical and specific forces. The results of FTIR and XPS further suggested that the four O atoms of CEPPA reacted with the Sn atoms on cassiterite surface, forming a complex which was similar to the Sn–CEPPA precipitate, and hydrogen bonding adsorption could have taken place between the terminal hydroxyl groups and CEPPA anions.

The flotation, adsorption and bonding mechanisms of styrene phosphonic acid (SPA) to cassiterite were studied using microflotation tests, zeta potential measurements, solution chemistry analysis and density functional theory (DFT) calculations in this paper. Flotation results demonstrated SPA was an excellent collector for cassiterite which could recover over 85% cassiterite particles with the pH range 4.3–6.06 and 40 mg/L SPA. Zeta potential measurements and solution chemistry analysis revealed the adsorption of SPA was mainly contributed by the chemisorption of the monoanions on cassiterite surfaces. Frontier molecular orbital theory analysis and adsorption energy calculation results proved the monoanion of SPA was able to replace the OH⁻ on cassiterite surfaces. The adsorption structure optimization results confirmed the binuclear complex was the most favorable adsorption configuration of SPA on cassiterite (110) surface. Mulliken population calculations and density of states analysis indicated during the bonding process the Sn3 atom lost electrons to O3 atom, and the bonding interaction between O3 and Sn3 atoms was mainly from the contribution of the 2p orbital of O3 atom and the 5s and 5p orbitals of Sn3 atom.

This paper investigated the effects of using or not using potassium butyl xanthate (PBX) as a collector on the flotation kinetics of talc and chalcopyrite. By means of atomic force microscopy (AFM), Fourier-transform infrared spectroscopy (FTIR), a contact angle measuring instrument and particle size analyzer, the underlying causes behind the flotation rate changes of talc and chalcopyrite are analyzed. Experimental results showed that in collectorless flotation, the law of change in the flotation rate constant (k) of the two minerals over time is independent of pH, and k values of chalcopyrite are much smaller than those of talc. In the presence of PBX, the flotation speed of chalcopyrite greatly increases, and the k values of chalcopyrite are far larger than those of talc. This is mainly because the amount of xanthate adsorbed on the surface of chalcopyrite is large and the adsorption is in the form of chemisorption, while the adsorption of xanthate on the talcum surface is in very small amounts and in the form of physical adsorption. Simulation results indicated that the collectorless flotation of chalcopyrite conform to the classical first-order kinetics model and the Kelsall model, whereas that of talc only conform to the latter, which is due to the layered structure of talc. In the presence of the collector, talc flotation conforms to the two model, because talc has a higher floatability and particle morphology has less influence on the flotation rate.

In this study, a flotation collector N-(carboxymethyl)-N-tetradecylglycine (NCNT) was introduced for the purpose of energy-saving, and its adsorption ability on a fluorapatite (001) surface was investigated by density functional theory calculation. The results of frontier molecular orbital analysis of NCNT and adsorption energy between NCNT and fluorapatite (FAp) showed that NCNT possessed better activity and stronger interactions in the reagent–FAp system than oleic acid (OA). A simulation model revealed that the adsorption positions of NCNT on the fluorapatite surface are calcium atoms, at which NCNT chemisorbed on (001) fluorapatite surface via a bidentate geometry involving the formation of two Ca–O bonds. Flotation experiments verified that NCNT had a good recovery of 92.27% on FAp at pH 3.5, which was slightly lower than OA. Moreover, NCNT was used at 16 °C, which was much lower than the OA’s service condition (25 °C).