Calculation of the phase envelope of multicomponent mixtures with the bead spring method

Ilias K. Nikolaidis, Ioannis Economou, Georgios C. Boulougouris, Loukas D. Peristeras

Research output: Contribution to journalArticle

7 Citations (Scopus)


A robust numerical scheme for the calculation of constant composition (isoplethic) phase diagrams of complex multicomponent mixtures is presented. The scheme refers to the sequential calculation of the phase envelope of a mixture by guiding the estimation for the equilibrium curve via the introduction of a "spring" that sets the slope value of the modified tangent plane distance with respect to either temperature or pressure. A simple variation of the proposed method allows direct estimation of the Cricondentherm and/or Cricondenbar points, thus avoiding the calculation of the entire phase diagram. Extensive tests of the proposed scheme for different types of phase diagrams, using both cubic and higher-order equations of state are presented.

Original languageEnglish
Pages (from-to)868-879
Number of pages12
JournalAICHE Journal
Issue number3
Publication statusPublished - 1 Mar 2016



  • Equations of state
  • Phase envelope
  • Stability analysis

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Biotechnology
  • Environmental Engineering

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