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Molecular dynamics studies for the new refrigerant HFC32 with site-site effective pair potential.

Author(s) : LISAL M., VACEK V.

Summary

The semiempirical isotropic site-site potential has been applied in constant pressure-constant temperature and constant volume-constant temperature molecular dynamics simulations of the alternative refrigerant R32. The simulations were performed on the saturated-liquid curve in the temperature interval between 200 and 320 K. The calculated data of thermodynamic, structural and dynamical properties from the simulations were discussed and compared with experimental results where available. A very promising agreement between calculated and measured thermodynamic properties was obtained.

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Pages: 383-390

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Details

  • Original title: Molecular dynamics studies for the new refrigerant HFC32 with site-site effective pair potential.
  • Record ID : 1996-1458
  • Languages: English
  • Subject: Environment
  • Source: For a Better Quality of Life. 19th International Congress of Refrigeration.
  • Publication date: 1995/08/20
  • Document available for consultation in the library of the IIR headquarters only.

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