Preparation of Zr4+ doped calcium hexaaluminate with improved slag penetration resistance

CY Guo and EH Wang and XM Hou and JY Kang and T Yang and TX Liang and GP Bei, JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 104, 4854-4866 (2021).

DOI: 10.1111/jace.17859

Aiming to improve the density of calcium hexaaluminate (CA(6)), Zr4+ doped CA(6) with the structural formula of CaAl(11.73)LOZENGE(0.25)Zr(0.02)O(18.41)LOZENGE(0)(.)(59) (CaAl11.73Zr0.02O18.41) was successfully synthesized at 1600celcius for 4 h in air. The effect of Zr4+ 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 Zr4+ prefers to substitute the Al3+ at Al3 site, which can increase the lattice parameter of c-axis and the amount of Al vacancies. The average thickness of Zr4+ doped CA(6) is increased by approximate 36% in comparison with the pure one. In addition, molecular dynamics (MD) simulation indicates that Zr4+ 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 Zr4+ doping possesses better slag penetration resistance. Based on this, the reaction mechanism is also discussed.

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