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

6 Citations (Scopus)

Abstract

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
Volume62
Issue number3
DOIs
Publication statusPublished - 1 Mar 2016

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Complex Mixtures
Phase diagrams
Pressure
Temperature
Equations of state
Chemical analysis

Keywords

  • Equations of state
  • Phase envelope
  • Stability analysis

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Biotechnology
  • Environmental Engineering

Cite this

Calculation of the phase envelope of multicomponent mixtures with the bead spring method. / Nikolaidis, Ilias K.; Economou, Ioannis; Boulougouris, Georgios C.; Peristeras, Loukas D.

In: AICHE Journal, Vol. 62, No. 3, 01.03.2016, p. 868-879.

Research output: Contribution to journalArticle

Nikolaidis, Ilias K. ; Economou, Ioannis ; Boulougouris, Georgios C. ; Peristeras, Loukas D. / Calculation of the phase envelope of multicomponent mixtures with the bead spring method. In: AICHE Journal. 2016 ; Vol. 62, No. 3. pp. 868-879.
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