Estimating the liquid properties of 1-alkanols from C5 to C12 by FT-EoS and CP-PC-SAFT: Simplicity versus complexity

• Published in: The Journal of supercritical fluids 2015-08, Vol.104, p.193-203
• Main Authors: Postnikov, Eugene B., Goncharov, Aleksandr L., Cohen, Naor, Polishuk, Ilya
• Format: Article
• Language: English
• Subjects: 1-Alkanols; Density; Predictive modeling; Sound velocity; Statistical association fluid theory
• ISSN: 0896-8446; 1872-8162
• DOI: 10.1016/j.supflu.2015.06.007

[Display omitted] •1-pentanol and heavier 1-alkanols can be included in the CP-PC-SAFT's applicability range.•The current CP approach cannot be applied to the lighter 1-alkanols.•FT EoS is a much simpler accurate model requiring however more experimental data.•FT EoS can be applied to the lighter 1-alkanols as well. 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.