Molecular Dynamics Simulation of the Structure I Empty Gas Hydrate
CHENG Wei, ZHOU Hong-Yu
Key Laboratory in University for Radiation Beam Technology
and Materials Modification, Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 100875
Molecular Dynamics Simulation of the Structure I Empty Gas Hydrate
CHENG Wei;ZHOU Hong-Yu
Key Laboratory in University for Radiation Beam Technology
and Materials Modification, Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 100875
Abstract： 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.
CHENG Wei;ZHOU Hong-Yu. Molecular Dynamics Simulation of the Structure I Empty Gas Hydrate[J]. 中国物理快报, 2002, 19(5): 609-612.
CHENG Wei, ZHOU Hong-Yu. Molecular Dynamics Simulation of the Structure I Empty Gas Hydrate. Chin. Phys. Lett., 2002, 19(5): 609-612.
2002, Vol. 19 
