화학공학소재연구정보센터
Journal of Supercritical Fluids, Vol.104, 193-203, 2015
Estimating the liquid properties of 1-alkanols from C-5 to C-12 by FT-EoS and CP-PC-SAF'T: Simplicity versus complexity
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 C-5 to C-12. 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. (C) 2015 Elsevier B.V. All rights reserved.