Microstructure And Property Of Slag Containing Vanadium Are Studied By Molecular Dynamics Simulation

The vanadium-titanium magnetic iron ore is the main resource containing vanadium which is extracted as by-product of iron. The vanadium-titanium magnetic iron ore is reduced in blast furnace and the vanadium in hot metal is oxided into slag containing vanadium. The quality of slag containing vanadium is very important for downstream process. Thus the microstructure of slag containing vanadium in different temperature and effect by addition SiO₂, Fe₂O₃ and TiO₂ are studied in this work.The following molten slags system containing vanadium are studied by Molecular Dynamics Simulation, FeO-V₂O₃,FeO-V₂O₃.Fe₂O₃,FeO-V₂O₃.SiO₂,FeO-V₂O₃.TiO₂. The pair correlation function (PCF), coordinate number (CN) and angle distribution are obtained. The X-ray diffraction (XRD) analysis is carried out to verify the simulated results. The ionic diffusion coefficients in different molten system containing vanadium are obtained to analyze relative dynamical properties. The following are research results:â‘ The Fe-O bond length is between 2.05².15A|·and V-O bond length is 2.10².15A|·in FeO-V₂O₃ system at 1673K. The Fe-O and V-O bond length is 2.01A|·and 2.04A|·respevtively in XRD. The main phase is normal vanadium-iron spinel FeV2O4. With decreasing temperature, the onset and second peak appear in various ionic pair correlation function. It is indicated that further ordered microstructure is formed.â‘¡The Fe-O bond length is between 1.90¹.95A|·, V-O bond length is 2.00².05A|·and Fe3+-O bond length is 1.87².01A|·in FeO-V₂O₃.Fe₂O₃ system at 1673K. The Fe-O, V-O and Fe3+-O bond length is 2.01A|·, 2.04A|·and 2.02 A|·respevtively in XRD. The main phase is reverse vanadium-iron spinel Fe2VO4. The ionic diffusion coefficients of Fe decrease with addition of Fe₂O₃, while diffusion coefficients of V increase with addition of Fe₂O₃.â‘¢The Fe-O bond length is between 1.90¹.95A|·, V-O bond length is 2.00².10A|·and Si-O bond length is 1.60¹.70A|·in FeO-V₂O₃.SiO₂ system at 1673K. The Fe-O, V-O and Si-O bond length is 2.01A|·, 2.04A|·and 1.60A|·respevtively in XRD. The main phase is normal vanadium-iron spinel FeV2O4 and Fe2SiO4. The ionic diffusion coefficients of Fe, V and O increase with addition of SiO₂.â‘£The Fe-O bond length is between 1.90².10A|·, V-O bond length is 1.90².20A|· and Ti-O bond length is 1.85¹.95A|·in FeO-V₂O₃-TiO₂ system at 1673K. The Fe-O, V-O and Ti-O bond length is 2.01A|·, 2.04A|·and 2.02A|·respevtively in XRD. The main phase is normal vanadium-iron spinel FeV2O4 and titanium-iron spinel Fe2TiO4. The ionic diffusion coefficients of Fe, V and O increase with addition of TiO₂. The diffusion coefficients of Fe and V keep invariant, but diffusion coefficient of O decrease.