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

abstract

• 2016 American Institute of Chemical Engineers. 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.

authors

• Economou, Ioannis

published proceedings

• AICHE JOURNAL

author list (cited authors)

• Nikolaidis, I. K., Economou, I. G., Boulougouris, G. C., & Peristeras, L. D.

citation count

• 11

complete list of authors

• Nikolaidis, Ilias K||Economou, Ioannis G||Boulougouris, Georgios C||Peristeras, Loukas D

publication date

• March 2016

publisher

• Wiley  Publisher

published in

• AIChE Journal  Journal

keywords

• Equations Of State
• Phase Envelope
• Stability Analysis

Digital Object Identifier (DOI)

• 10.1002/aic.15064

start page

• 868

end page

• 879

volume

• 62

issue

• 3

URL

• http://dx.doi.org/10.1002/aic.15064