Abstract
Anosovite crystalline is an ideal mineral for flotation from the Ti-bearing blast furnace (TBBF) slag. Ti3O5 crystal and Al2TiO5 crystal are two kinds of anosovites, and the Al element significantly affects the electronic structure and flotation performance of anosovite. The floatability of Ti3O5 and Al2TiO5 crystals were studied by Mulliken populations, energy bands, and density of states (DOS). In addition, the flotation experiment of the two kinds of anosovite crystals (Ti3O5 and Al2TiO5) was conducted and proved that the density functional theory (DFT) calculation results were accurate. Compared with Ti3O5 crystal, the Fermi energy level of Al2TiO5 crystal shifts around 2 eV in a negative direction by DOS analysis, which is beneficial to flotation. And Al2TiO5 crystal possesses a larger value of bond population, which is 0.41, for Ti-O bonds than Ti3O5 crystal and the bond length of Ti-O in Al2TiO5 crystal is shorter, therefore Al2TiO5 crystal shows a stronger covalency. The changes of the Fermi energy level and the covalency bonds in Al2TiO5 crystal both demonstrated that doping the Al component into the Ti3O5 crystal was beneficial to improve the flotation effect. Moreover, the Al2TiO5 crystal had a higher flotation efficiency compared to the Ti3O5 crystal when the dosages of salicylhydroxamic acid (SHA) and sodium oleate were the same. Therefore, both DFT calculation and experiment show that the flotation effect of the Al2TiO5 crystal is better than that of the Ti3O5 crystal.
Highlights
In southwest of China, there is a large amount of high Ti-bearing vanadium-titanomagnetite and most of which is used for ironmaking process in blast furnace
Related research was conducted on magnesium-bearing anosovite floatation from Ti-bearing electric slag, and the results showed that Mg entering the Ti3 O5 lattice changed the crystal and electronic structures of Ti3 O5
It can be seen from the average charge of the atom that the electrons number in the Ti atom is 10.87e and lost 1.12e, which indicated that the Ti in Ti3 O5 crystal is a donor of electrons
Summary
In southwest of China, there is a large amount of high Ti-bearing vanadium-titanomagnetite and most of which is used for ironmaking process in blast furnace. Ti-bearing blast furnace (TBBF) slag is becoming one of the most important secondary resources of titanium, which contains approximately 20–26% TiO2 [1,2,3,4]. Density functional theory (DFT) [20,21], widely and successfully applied in simulations throughout engineering and sciences, a supplement of modern experimental methods, can be used to analyze mineral crystal structures from atom and electron aspects [22]. Related research was conducted on magnesium-bearing anosovite floatation from Ti-bearing electric slag, and the results showed that Mg entering the Ti3 O5 lattice changed the crystal and electronic structures of Ti3 O5. It is expected that theoretical support for the separation process of TBBF slag through flotation aluminum-bearing anosovite crystal can be established
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