中文摘要：

以NaAlO2、Na2SiO3·9H2O和NaOH为原料，在碱水体系中合成了单一结构的羟基方钠石。研究了不同晶化时间产物的物相结构、谱学特征及形貌，并对合成产物滤液中Si和Al的含量进行了测定。利用分子模拟方法分别计算了所得NaA沸石和羟基方钠石的骨架总能量，并对两者的热稳定性进行了分析。结果表明：羟基方钠石的形成主要经历了4个阶段，即无定形钠铝硅酸盐聚合阶段（5～10rain）、NaA沸石成核阶段（30～40min）、NaA沸石和羟基方钠石协同生长阶段（1～3h）、NaA沸石转变为羟基方钠石阶段f4～10h）；羟基方钠石的生长消耗了液相中的Si和Al，其生长符合液相转变机制；热稳定性较差及结构能量更高是NaA沸石结构溶蚀并转晶成羟基方钠石的本质原因。

英文摘要：

Hydroxy sodalite was synthesized in alkaline-water system with NaAlO2, Na2SiO3·9H2O and NaOH as raw materials. The crystalline phase, spectral characteristics and morphologies of the crystallization products at different crystallization time were characterized. The contents of Si and A1 in filtrate were measured. The skeleton energy of zeolite NaA and hydroxy sodalite were calculated by a molecular simulation method, and the thermal stability of both was analyzed. The results show that the formation of hydroxy sodalite mainly includes amorphous sodium aluminosilicate polymerization （5-10 min）, zeolite NaA nucleation （30-40 min）, symplastic growth of zeolite NaA and hydroxy sodalite （1-3 h）, and phase transformation of zeolite NaA into hydroxy sodalite （4-10 h）. The growth of hydroxy sodalite consumes the contents of Si and A1 in liquid phase, which conforms to be the liquid phase transformation mechanism. The thermal stability of zeolite NaA is relatively poor and the total energy of hydroxy sodalite is lower than that of zeolite NaA since zeolite NaA transforms into hydroxy sodalite.