TY - JOUR
T1 - Prediction of high-pressure phase equilibria using cubic EOS
T2 - What can be learned?
AU - Polishuk, Ilya
AU - Stateva, Roumiana P.
AU - Wisniak, Jaime
AU - Segura, Hugo
PY - 2002/10
Y1 - 2002/10
N2 - 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, GE-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.
AB - 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, GE-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.
KW - Equation of state
KW - MHV mixing rules
KW - Parameter identification
KW - Predictive model
KW - Supercritical fluid
UR - http://www.scopus.com/inward/record.url?scp=0038679422&partnerID=8YFLogxK
U2 - 10.1002/cjce.5450800516
DO - 10.1002/cjce.5450800516
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AN - SCOPUS:0038679422
SN - 0008-4034
VL - 80
SP - 927
EP - 942
JO - Canadian Journal of Chemical Engineering
JF - Canadian Journal of Chemical Engineering
IS - 5
ER -