Preparation of Zr <sup>4+</sup> doped calcium hexaaluminate with improved slag penetration resistance
Chunyu Guo, Enhui Wang, Xinmei Hou, Junyi Kang, Tao Yang, Tongxiang Liang, Guoping Bei
Abstract
Abstract Aiming to improve the density of calcium hexaaluminate (CA 6 ), Zr 4+ doped CA 6 with the structural formula of CaAl 11.73 ◊ 0.25 Zr 0.02 O 18.41 ◊ 0 . 59 (CaAl 11.73 Zr 0.02 O 18.41 ) was successfully synthesized at 1600℃ for 4 h in air. The effect of Zr 4+ doping on the crystal structure of CA 6 was investigated using first principle calculation, structure refinement in combination with experimental characterization. The results suggest that Zr 4+ prefers to substitute the Al 3+ at Al3 site, which can increase the lattice parameter of c ‐axis and the amount of Al vacancies. The average thickness of Zr 4+ doped CA 6 is increased by approximate 36% in comparison with the pure one. In addition, molecular dynamics (MD) simulation indicates that Zr 4+ doping can reduce the wettability of CA 6 to slag to some extent. The reaction test method was carried out and it shows that CA 6 with Zr 4+ doping possesses better slag penetration resistance. Based on this, the reaction mechanism is also discussed.