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

Eugene B. Postnikov, Aleksandr L. Goncharov, Naor Cohen, Ilya Polishuk

Research output: Contribution to journalArticlepeer-review

28 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)193-203
Number of pages11
JournalJournal of Supercritical Fluids
Volume104
DOIs
StatePublished - 2015

Keywords

  • 1-Alkanols
  • Density
  • Predictive modeling
  • Sound velocity
  • Statistical association fluid theory

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