scholarly journals Roles and Influences of Kerosene on Chalcopyrite Flotation in MgCl2 Solution: EDLVO and DFT Approaches

Minerals ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 48
Author(s):  
Wanqing Li ◽  
Yubiao Li ◽  
Shaobing Xie ◽  
Wanqing Duan ◽  
Wen Chen

Seawater has been increasingly used as an alternative to freshwater in mineral flotation. Although previous studies suggest that Mg2+ ions in seawater have the primary negative roles in chalcopyrite flotation, insufficient work has been conducted to understand the effects of kerosene as a collector in chalcopyrite flotation. In this study, the influence of kerosene emulsion on chalcopyrite floatability in a solution containing Mg2+ was systematically investigated. The results indicated that the addition of kerosene significantly reduced the adsorption of hydrophilic Mg-precipitates onto the chalcopyrite’s surface. In addition to contact angle, zeta potential, optical microscopy, and Fourier-transform infrared spectroscopy analyses, extended Derjguin–Landau–Verwey–Overbeek (EDLVO) theory and density functional theory (DFT) calculations were conducted to understand the influencing mechanisms of kerosene on chalcopyrite flotation. The adsorption energies showed an order of kerosene and Mg(OH)2 > kerosene and chalcopyrite > chalcopyrite and Mg(OH)2, indicating kerosene was preferentially adsorbed on the Mg(OH)2 surface, forming agglomerates and therefore reducing the adsorption of Mg(OH)2 precipitates onto the chalcopyrite’s surface. In addition, hydrophobic agglomerates were also formed due to the attachment of kerosene to the chalcopyrite’s surface when additional kerosene was added, further enhancing chalcopyrite floatability.

2016 ◽  
Vol 2016 ◽  
pp. 1-5 ◽  
Author(s):  
Ramzan Ullah ◽  
Ishaq Ahmad ◽  
Yuxiang Zheng

FTIR (400–4000 cm−1) spectra of “Bisphenol A” are presented. Absorption peaks (400–4000 cm−1) are assigned on the basis of Density Functional Theory (DFT) with configuration as B3LYP 6-311G++ (3df 3pd). Calculated absorption peaks are in reasonable reconciliation with experimental absorption peaks after scaling with scale factor of 0.9679 except C-H and O-H stretching vibrations.


2018 ◽  
Vol 786 ◽  
pp. 384-392 ◽  
Author(s):  
Hussein Y. Ammar

The structural and electronic properties of Li, Mg and Al deposited ZnO nanocages and their effects on the adsorption of formaldehyde molecule have been investigated using the density functional theory (DFT) computations. To understand the behavior of the adsorbed CH2O molecule on the ZnO nanocage, results of DFT calculations of the M-deposited nanocages (M=Li, Mg and Al), as well as complex systems consisting of the adsorbed CH2O molecule on M-deposited ZnO nanocage were reported. The results presented include adsorption energies, bond lengths, electronic configurations, density of states and molecular orbitals. It was found that, the most energetically stable adsorption configurations of CH2O molecule on the bare ZnO leads to 12% dilation in C=O bond length of CH2O and 14% decrease in HOMO-LUMO gap of ZnO cluster. The most energetically stable adsorption configurations of CH2O molecule on Li, Mg and Al-deposited ZnO lead to 4%, 4% and 11% dilation in C=O bond length of CH2O and-0.66, -45 and , +66% change in HOMO-LUMO gap of ZnO nanocages, respectively. The interaction between CH2O with bare ZnO and M-deposited ZnO nanocages is attributed to charge transfer mechanism. These results may be meaningful for CH2O degradation and detection.


Sign in / Sign up

Export Citation Format

Share Document