TY - JOUR
T1 - Estimating the liquid properties of 1-alkanols from C5 to C12 by FT-EoS and CP-PC-SAFT
T2 - Simplicity versus complexity
AU - Postnikov, Eugene B.
AU - Goncharov, Aleksandr L.
AU - Cohen, Naor
AU - Polishuk, Ilya
N1 - Publisher Copyright:
© 2015 Elsevier B.V.
PY - 2015
Y1 - 2015
N2 - In this study, we have compared performances of the Fluctuation Theory-based Tait-like Equation of State (FT-EoS) and the Critical Point-based Perturbed-Chain Statistical Association Fluid Theory (CP-PC-SAFT) approach in estimating the high pressure thermodynamic properties of liquid 1-alkanols from C5 to C12. The considered models are characterized by different degrees of complexity and predictive capacity. The relative complexity of CP-PC-SAFT yields two important benefits, namely the substantially smaller amount of the required experimental information and the universality. At the same time the predictive capacity of FT-EoS can be enhanced by generalizing a couple of its adjustable parameters for the entire homologues series under question. Both models yield comparable and satisfactorily accurate predictions of the high pressure densities, sound velocities and compressibilities of the considered compounds away from the critical states. Unlike FT-EoS, CP-PC-SAFT can be implemented as well in the near- and super-critical regions.
AB - In this study, we have compared performances of the Fluctuation Theory-based Tait-like Equation of State (FT-EoS) and the Critical Point-based Perturbed-Chain Statistical Association Fluid Theory (CP-PC-SAFT) approach in estimating the high pressure thermodynamic properties of liquid 1-alkanols from C5 to C12. The considered models are characterized by different degrees of complexity and predictive capacity. The relative complexity of CP-PC-SAFT yields two important benefits, namely the substantially smaller amount of the required experimental information and the universality. At the same time the predictive capacity of FT-EoS can be enhanced by generalizing a couple of its adjustable parameters for the entire homologues series under question. Both models yield comparable and satisfactorily accurate predictions of the high pressure densities, sound velocities and compressibilities of the considered compounds away from the critical states. Unlike FT-EoS, CP-PC-SAFT can be implemented as well in the near- and super-critical regions.
KW - 1-Alkanols
KW - Density
KW - Predictive modeling
KW - Sound velocity
KW - Statistical association fluid theory
UR - http://www.scopus.com/inward/record.url?scp=85015691076&partnerID=8YFLogxK
U2 - 10.1016/j.supflu.2015.06.007
DO - 10.1016/j.supflu.2015.06.007
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AN - SCOPUS:85015691076
SN - 0896-8446
VL - 104
SP - 193
EP - 203
JO - Journal of Supercritical Fluids
JF - Journal of Supercritical Fluids
ER -