Efficient removal of VOCl3 from crude TiCl4 by organic reagent: Reaction mechanism, kinetics and thermodynamics

The reaction mechanism of the organic reagent removing VOCl3 from crude TiCl4 has been explored, which is key to optimize industrial application. In this study, a comprehensive reaction mechanism is conducted via various characterization techniques and computational studies, such as XRD, XPS, Raman, SEM, density functional theory calculations and thermodynamic calculation etc. The results show that the main substance in the residue, which derives from the reaction of organic reagent and crude TiCl4 is amorphous carbon. It is created from organic reagent catalyzied by TiCl4, undergoing reactions including the aromatization, polycondensation and carbonization. Then, the amorphous carbon adsorbs VOCl3 and converts it into insoluble VOCl2 and VCl3. Finally, the insoluble particles are removed via adsorbing by amorphous carbon.