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Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state.

Author(s) : BLAS F. J., VEGA L. F.

Type of article: Article

Summary

A modified SAFT equation of state has been applied to predict the phase equilibria behaviour of binary and ternary mixtures. The molecular parameters of pure substances are obtained by fitting to the saturated liquid density and by equating the chemical potentials in both phases. Three molecular parameters are needed to obtain the thermodynamic properties of pure substances, namely, the segment size, dispersive energy and chain length. Two additional parameters are needed to describe the associating molecules, the association energy and volume. They are obtained by fitting to experimental saturated liquid density and by equating the chemical potentials in both phases over a wide range of temperatures. The molecular parameters are found to scale with the molecular weight for the alkanes. Ternary mixtures are predicted from the previous parameters without any further adjustment. The agreement between prediction and experimental results is excellent in all cases.

Details

  • Original title: Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state.
  • Record ID : 1999-0049
  • Languages: English
  • Source: Ind. eng. Chem. Res. - vol. 37 - n. 2
  • Publication date: 1997/12
  • Document available for consultation in the library of the IIR headquarters only.

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