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The Mechanism of Heat Transport in Methane si Hydrate Under High Pressure Based on Molecular Dynamics Simulation
Author(s): 
Pages: 714-719
Year: Issue:  4
Journal: Journal of Engineering Thermophysics

Keyword:  hydratethermal conductivitypower spectrummolecular dynamics;
Abstract: Equilibrium molecular dynamics simulation is employed to investigate the thermal properties of sI hydrate structures in a wide range of temperature under high pressure in this paper.The results indicate that the water molecules in the investigated hydrate structures present almost the same crystalline distribution,but their thermal conductivities are different.In all the investigated hydrate structures,it is found that the guest-free hydrate owns the highest thermal conductivity of the studied systems,while the defect hydrate has the lowest thermal properties.The high pressure can improve the thermal properties of methane and water molecules.The high temperature can strengthen the thermal properties of methane molecules,but it can weaken the thermal properties of water molecules.And the lattice defect of water molecules in hydrate can cause the considerable scattering of phonons.
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