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Research on thermophysical properties of water under atmospheric pressure using molecular dynamics method.

[In Japanese. / En japonais.]

Author(s) : YAZAKI T., OKAWA S., SAITO A.

Type of article: Article

Summary

Heat capacity, thermal expansion coefficient, isothermal compressibility, self-diffusion coefficient, shear viscosity, and thermal conductivity were calculated using various models in the range from normal temperatures down to supercooling temperatures. In addition to these properties, the latent heat of ice to water was also estimated. The models selected in the report were ST2, TIP4P, CC, and SPC-E. When the temperature was high, good agreement was found between each model and the experimental data for almost all properties. However, at low temperatures differences from experimental data depend on the choice of water models.

Details

  • Original title: [In Japanese. / En japonais.]
  • Record ID : 1997-0009
  • Languages: Japanese
  • Source: Trans. JAR - vol. 13 - n. 1
  • Publication date: 1996
  • Document available for consultation in the library of the IIR headquarters only.

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