Abstract
In order to find a suitable refractory for preparing pure Ti, we have confirmed the crystal structure of Ba2YZrO5F refractory by modifying BaZrO3. However, its synthesized routes and stability contacted with Ti have not been verified. Through experiments and theoretical calculations, it shows that the synthesis of Ba2YZrO5F occurred in two stages, including direct reaction of raw material and indirect reaction through Ba3Y4O9 and BaZrO3 as intermediate phases. The calculated formation energy of Ba2YZrO5F equals −3.722 eV/atom which was smaller than that of BaZrO3 (−3.640 eV/atom), indicating that Ba2YZrO5F had a better stability. The subsequent interaction experiment revealed that Ba2YZrO5F exhibited a better corrosion resistance to Ti in comparison with BaZrO3. Its higher stability was attributed to its lower formation energy and a film of Y2O3 layer generated in the refractory surface, which resisted the corrosion of Ti melt. This study expands the potential refractory applications for preparing pure Ti.
Published Version
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