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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
- 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).
- Subjects :
- General Chemical Engineering
Binary number
02 engineering and technology
Type (model theory)
010402 general chemistry
Mole fraction
01 natural sciences
0104 chemical sciences
Computer Science Applications
symbols.namesake
020401 chemical engineering
Simple (abstract algebra)
Phase (matter)
Phase rule
symbols
[CHIM]Chemical Sciences
Gravitational singularity
0204 chemical engineering
Ternary operation
Algorithm
Mathematics
Subjects
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⟩