原子与分子物理学报2024，Vol.41Issue(5)：22-28,7.DOI:10.19855/j.1000-0364.2024.051004
MgCO3分子的解离产物合成MgAl2O4分子
Synthesis of MgAl2O4 from dissociated products of MgCO3
摘要
Abstract
In this study,the dissociation process of MgCO3 and the synthesis of MgAl2 O4 by using the dissocia-tion products and Al2O3 were 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 MgCO3 were calculated and the thermal decompo-sition process of the reactant was also calculated to find the transition states.In the meantime,the powders of MgAl2O4 were synthesized from MgCO3 and Al2O3 by high temperature sintering method at 1450℃ in the labora-tory.The experimental products were characterized by XRD and agreed with the theoretical calculation.关键词
碳酸镁MgCO3/三氧化二铝Al2O3/铝酸镁MgAl2O4/解离/过渡态Key words
Magnesium carbonate MgCO3/Aluminium oxide Al2O3/Magnesium aluminate MgAl2O4/Dissocia-tion/Transition state分类
数理科学引用本文复制引用
崔金玉,任海林,赵帅,程佥千,蒋倩云,王丽,王飞..MgCO3分子的解离产物合成MgAl2O4分子[J].原子与分子物理学报,2024,41(5):22-28,7.基金项目
辽宁省教育厅科研项目(LJKMZ20221858) （LJKMZ20221858）
营口理工学院科研团队项目(TD202003) （TD202003）
