Abstract
High stability of aluminate solution leads to extremely slow decomposition rate. Strengthening nucleation kinetics is the fundamental to improve the low decomposition efficiency. A new moderated organic base medium was designed and polarized continuum model was combined to explore the function of solvation and transformation mechanism. Raman spectrum of solvated Al(OH)4- is more similar to experimental measurements. The reactivity of solvated Al(OH)4- increased through hydrogen bond formation. The n value of most stable Al(OH)4-·nH2O is between 4 and 8 through stabilization energy and averaged solvation energy analysis. The most possible dimer is five coordinated (OH)3AlO2Al(OH)34− bridged by two oxygen atoms. Its subsequent oligomerization takes place on the ended oxygen and aluminium atom.
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