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采用分子动力学模拟方法首次对H型气体水合物的晶体结构及稳定性进行了研究，得到H型气体水合物中各分子（原子）作用点之间的径向分布函数．在此基础上，通过计算水合物晶格上水分子的平动均方置换、取向均方置换以及取向自关联函数，考察了温度和客体分子对H型气体水合物结构稳定性的影响．结果表明：在水合物生成条件下，水合物晶体结构的稳定性依赖于晶体胞腔空穴中的客体分子；而对温度的变化则不太敏感．
The crystal structure and stability of H-type gas hydrate were studied by molecular dynamics simulation for the first time. The radial distribution function of each molecule (atom) in H-type gas hydrate was obtained. Based on this, the effects of temperature and guest molecules on the structural stability of H-type gas hydrates were investigated by calculating the mean-square displacement, the mean-square displacement and the self-correlating function of water molecules on the hydrate crystal lattice. The results show that the stability of the hydrate crystal structure depends on the guest molecules in the cavities of the crystal cavity under the conditions of hydrate formation and less sensitive to the temperature change.