Calculation of pure saturation properties using cubic equations of state

Hugo Segura, Jaime Wisniak

Research output: Contribution to journalArticlepeer-review

13 Scopus citations


A robust algorithm is outlined for the solution of the classical non-linear isofugacity problem by using equations of state (EOS). The procedure suggested is free of numerical pitfalls from the triple point to the critical point. The combination of differential stability (spinodal curve) and zero pressure reference concepts yields an automatic initialization of the calculations inside a region of convergence where the EOS can always predict pure compound vapor pressures at a given temperature.

Original languageEnglish
Pages (from-to)1339-1347
Number of pages9
JournalComputers and Chemical Engineering
Issue number12
StatePublished - 1 Jan 1997


  • Equations of state
  • Vapor pressure
  • Vapor-liquid equilibria

ASJC Scopus subject areas

  • General Chemical Engineering
  • Computer Science Applications


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