| Molecular Dynamics Simulation of the Structure I Empty Gas Hydrate |
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| 作者姓名： | 程伟 周宏余 |
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| 作者单位： | [1]KeyLaboratoryinUniversityforRadiationBeamTechnologyandMaterialsModification,InstituteofLowEnergyNuclearPhysics,BeijingNormalUniversity,Beijing100875 [2]KeyLaboratoryinUniversityforRadiationBeamTechnology,InstituteofLowEnergyNuclearPhysics,BeijingNormalUniversity,Beijing100875 |
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| 摘 要： | ![]()
The 368 water molecule structure I empty gas hydrates with three possible hydrogen orientations are calculated using TIP4P potential molecular dynamical simulations.The thermodynamic properties and hydrogen bonding are compared with ice Ih.The density of states is analysed based on experimental measurements.The empty gas hydrate at low temperature is stable without gas molecules encaged.
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| 关 键 词： | 水分子 分子动力学模拟 气体氢化物 |
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