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H型气体水合物导热系数的分子动力学模拟

         

摘要

Molecule dynamic simulation was carried out to predict the thermal conductivity of structure H hydrate at 100?K,180?K and 260?K. In order to get a reliable potential model and stable simulation method the simulations of thermal conductivities of ice and empty hydrate were performed firstly at 100K, 180K and 260K. The simulation results of ice, empty hydrate and structure H hydrate show that thermal conductivities of ice and hydrates have different temperature dependence: for structure H hydrate it is not so distinct while that of ice is inversely proportional to temperature.

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