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Prediction of High‐Pressure Phase Equilibria using Cubic EOS: What Can Be Learned?
Author(s) -
Polishuk Ilya,
Stateva Roumiana P.,
Wisniak Jaime,
Segura Hugo
Publication year - 2002
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450800516
Subject(s) - mixing (physics) , flexibility (engineering) , phase diagram , phase (matter) , high pressure , thermodynamics , type (biology) , cubic function , statistical physics , computer science , mathematics , physics , geology , mathematical analysis , statistics , quantum mechanics , paleontology
Abstract Modern semi‐empirical cubic EOSs are usually attached by complex functionalities, such as Huron‐Vidal (HV)‐type mixing rules. Although this practice improves the flexibility of the models, it also complicates consideration of an overall picture of phase behavior. As a result, G E ‐based equations are usually adjusted to the experimental data by way of a local fit. The latter approach tends to ignore that different regions of the thermodynamic phase space are closely inter‐related. The present study demonstrates that the contribution of (HV)‐type mixing rules to predicting high‐pressure phase equilibria can be quite modest and that in addition they may generate non‐realistic phase diagrams.