China Nonferrous Metallurgy

Vanadium in shale is strongly bound by the crystal lattice of aluminosilicate minerals in the form of isomorphism, and its extraction and release are very difficult. The law of vanadium conversion and release has become one of the most important scientific problems in the technology development of vanadium shale industry. Focusing on this scientific problem, this paper uses density functional theory to deeply study the lattice properties of vanadium in shale and the process of vanadium migration and coordination transformation at atomic scale, determine the law of the occupying substitution of vanadium atoms, and simulate the action of anions and cations on mica interface during wet acid leaching process. The mechanism of synergistic enhancement of tetrahedral and octahedral dissolution of mica by hydrogen ions and fluorine ions was elucidated. Meanwhile, the mechanism of oxygen skeleton removal enhanced by structural distortion and vanadium atom coordination dissolution of mica was revealed by comparing the difference of vanadium atom release caused by high temperature activation during roasting. The research results would provide some theoretical guidance for the development of the new generation of all-wet method of vanadium-bearing shale.