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A simple and unified algorithm to solve fluid phase equilibria using either the gamma-phi or the phi-phi approach for binary and ternary mixtures

Authors :
Jean-Noël Jaubert
Yannick Privat
Romain Privat
Laboratoire Réactions et Génie des Procédés (LRGP)
Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)
École normale supérieure - Cachan, antenne de Bretagne (ENS Cachan Bretagne)
École normale supérieure - Cachan (ENS Cachan)
Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)
Source :
Computers & Chemical Engineering, Computers & Chemical Engineering, Elsevier, 2013, 50, pp.139-151. ⟨10.1016/j.compchemeng.2012.11.006⟩
Publication Year :
2013
Publisher :
HAL CCSD, 2013.

Abstract

International audience; A new algorithm is proposed for calculating phase equilibria in binary systems at a fixed temperature and pressure. This algorithm is then extended to ternary systems (in which case, the mole fraction of one constituent in a given phase must be fixed in order to satisfy the Gibbs' phase rule). The algorithm has the advantage of being very simple to implement and insensitive to the procedure used to initialize the unknowns. Most significantly, the algorithm allows the same solution procedure to be used regardless of the thermodynamic approach considered (gamma-phi or phi-phi), the type of phase equilibrium (VLE, LLE, etc.) and the existence of singularities (azeotropy, criticality and so on).

Details

Language :
English
ISSN :
00981354 and 18734375
Database :
OpenAIRE
Journal :
Computers & Chemical Engineering, Computers & Chemical Engineering, Elsevier, 2013, 50, pp.139-151. ⟨10.1016/j.compchemeng.2012.11.006⟩
Accession number :
edsair.doi.dedup.....4128ab2e6b4f10a9d866583b91f374e8
Full Text :
https://doi.org/10.1016/j.compchemeng.2012.11.006⟩