MgCO3 分子的解离产物合成 MgAl2O4 分子.

In this study, the dissociation process of MgCO3and the synthesis of MgAl2O4by using the dissociation products and Al2O3were studied. From the CCSD (t) 6 - 311 + + G (D, p) and M06-2x/6-311++g (D, p) methods, the single-point energy and frequency of MgCO3were calculated and the thermal decomposition process of the reactant was also calculated to find the transition states. In the meantime, the powders of MgAl2O4were synthesized from MgCO3and Al2O3by high temperature sintering method at 1450°C in the laboratory. The experimental products were characterized by XRD and agreed with the theoretical calculation. [ABSTRACT FROM AUTHOR]