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在单晶胞体系下,采用分子动力学的方法,利用搭建的势能模型,模拟了温度的变化对Ⅰ型甲烷水合物晶体稳定型的影响。通过分析不同温度下水合物晶体的径向分布函数、势能函数以及压力函数图像,得出了在水合物形成及分解过程中,温度越低,水合物势能越小、压力的波动性越小,晶体结构的稳定性也就会越好。该结论为以后水合物的形成和分解过程的研究提供了重要的参考依据。
Under monoclinic cell system, the molecular dynamics method was used to simulate the effect of temperature on the stability of type I methane hydrate crystal. By analyzing the radial distribution function, potential energy function and pressure function image of hydrate crystals at different temperatures, it is concluded that the lower the temperature and the smaller the potential energy of hydrate, the smaller the pressure fluctuation during the hydrate formation and decomposition. The stability of the crystal structure will be better. This conclusion provides an important reference for the future hydrate formation and decomposition process.