作者: Rodion V. Belosudov , Yulia Yu. Bozhko , Ravil K. Zhdanov , Oleg S. Subbotin , Yoshiyuki Kawazoe
DOI: 10.1016/J.FLUID.2015.11.031
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摘要: Abstract The thermodynamic properties of the hydrogen clathrate hydrate with cubic structure II and hexagonal ice Ih have been investigated using both lattice dynamics molecular methods aim predicting existence self-preservation phenomenon in hydrate. statistical thermodynamics model modifications describing host relaxation, guest–guest interactions quantum nature guest behavior hydrates has applied to calculate thermal expansion volume for systems. calculations show that remains a stable region within phase diagram because is limited by ice. differences should lead effect application additional pressure on phase. Molecular simulations also immersed at ambient pressure, which below three-phase ice–hydrate–gas equilibrium conditions due formation bonding network between structures. From practical point view this can be used storage transport form.