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Monte Carlo studies on thermophysical property and structure of CO2 hydrate produced from mixed gas of CO2 + He.

Author(s) : OTA M., FERDOWS M.

Type of article: Article

Summary

Monte Carlo simulations are presented to describe the structure, the thermophysical property of CO2 hydrate and mixed gas of CO2 + He by performing NPT ensemble and TIP4P potential model of water. A mixture of water and CO2 placed arbitrarily in a cubic cell has been used as a model system to simulate the CO2 clathrate hydrate. On the other hand, to simulate the mixed gas of CO2-He, a mixture of 368 water molecules, 51 CO2 molecules and 13 helium molecules are considered as a model system. The thermophysical property of enthalpy at temperatures ranging from 150 to 280 K and pressure of 4 MPa has been demonstrated for CO2 hydrate. It is found that hydrate structure is stable and thermophysical results depend on the rate of CO2 filling factors. Also, the authors' findings show that the gas molecules have an influence upon each other in mixed gas and there is direct effect that He molecule gives the unstability of CO2 molecule.

Details

  • Original title: Monte Carlo studies on thermophysical property and structure of CO2 hydrate produced from mixed gas of CO2 + He.
  • Record ID : 2007-0508
  • Languages: English
  • Source: J. Eng. Thermophys. - vol. 13 - n. 2
  • Publication date: 2005

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