Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non-aromatic hydrocarbons

Ilya Polishuk, Helena Lubarsky, Dong NguyenHuynh

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

This investigation continues a series of studies evaluating the capability of the recently proposed CP-PC-SAFT and sPC-SAFT of Liang et al. to estimate the thermodynamic properties of aqueous systems in the entirely predictive manner. Similarly to the previously considered systems, CP-PC-SAFT remains a realistic estimator of the available data on critical loci, high pressure-high temperature phase equilibria and volumetric properties also in the cases of non-polar gases and non-aromatic hydrocarbons from argon and nitrogen till n-eicosane and squalene while keeping zero values of binary parameters. Nevertheless, such application of the model poses certain unavoidable compromises on its accuracy. Inter alia, CP-PC-SAFT is a particularly inaccurate estimator of the water-rich liquid phases away from the critical points. sPC-SAFT predicts these data in a more reliable manner. Moreover, its predictive capability goes beyond the liquid phases and it exhibits a remarkable accuracy in forecasting various phase equilibria below the critical point of water.

Original languageEnglish
Pages (from-to)5064-5075
Number of pages12
JournalAICHE Journal
Volume63
Issue number11
DOIs
StatePublished - Nov 2017

Keywords

  • aqueous solutions
  • mathematical modeling
  • phase equilibrium
  • supercritical processes
  • thermodynamics/classical

Fingerprint

Dive into the research topics of 'Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non-aromatic hydrocarbons'. Together they form a unique fingerprint.

Cite this