Theoretical research on the precipitation of sodium aluminate solutions enhanced by ultrasound

The heat of formation and frontier orbital of possible monomeric aluminate species, hydroxyl radical((.)OH), hydrogen radical((.)H) and the products of precipitation reactions in caustic aluminate solutions under ultrasound were computed with a semiempirical quantum chemical method AM1. According to the thermodynamics theory and frontier orbital argument, the structure changes of the solution under ultrasound were studied. Conclusions were made that ultrasound can increase the precipitation tendency of the formation of, the growth unit of crystallization [Al(OH)(4)(-)(H(2)O)2] and accelerate the precipitation of caustic aluminate solution.