In order to perform the density of CO2 hydrate, Monte Carlo simulations have been carried out under constant temperature and pressure conditions. The physical property of density have been focused for the clathrate hydrate of CO2: CO2.5.75H2O; CO2.7.67H2O at temperatures ranging from 150 to 280 K and pressure up to 10 Mpa in the number of particles, temperature, and pressure (NPT) ensemble using simple point charge (SPC) intermolecular potential model of water. Comparisons between Monte Carlo-calculated result SPC and the result calculated by transferable intermolecular potential (TIP4P) model are also presented.
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