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Solution of MgO, CaO, and TiO 2 in α‐AI 2 O 3
Author(s) -
Grimes Robin W.
Publication year - 1994
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1994.tb07005.x
Subject(s) - solid solution , solubility , oxide , materials science , aqueous solution , ion , inorganic chemistry , thermodynamics , mineralogy , chemistry , physics , metallurgy , organic chemistry
Atomistic simulation methods are used to predict the preferred solution mechanisms and their associated energies. Both full‐ and partial‐charge models are discussed. It was found that defect clustering always results in a significant lowering of the solution energies but does not change the preferred solution reaction of any of the oxides. The large size of the Ca 2+ ion results not only in a higher solution energy (lower solubility) for CaO compared to MgO but also to a different preferred compensation mechanism. The predicted energy for the cosolution of MgO and TiO 2 is dramatically smaller than for either oxide separately. Conversely, whereas solution of TiO 2 aids the solution of CaO, additions of CaO do not support TiO 2 , Solution.