Prediction of high-pressure phase equilibria using cubic EOS: What can be learned?

Ilya Polishuk, Roumiana P. Stateva, Jaime Wisniak, Hugo Segura

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

Modern semi-empirical cubic EOSs are usually attached by complex functionalities, such as Huron-Vidal (HV)-type mixing rules. Although this practice improves the flexibility of the models, it also complicates consideration of an overall picture of phase behavior. As a result, GE-based equations are usually adjusted to the experimental data by way of a local fit. The latter approach tends to ignore that different regions of the thermodynamic phase space are closely inter-related. The present study demonstrates that the contribution of (HV)-type mixing rules to predicting high-pressure phase equilibria can be quite modest and that in addition they may generate non-realistic phase diagrams.

Original languageEnglish
Pages (from-to)927-942
Number of pages16
JournalCanadian Journal of Chemical Engineering
Volume80
Issue number5
DOIs
StatePublished - 1 Jan 2002

Keywords

  • Equation of state
  • MHV mixing rules
  • Parameter identification
  • Predictive model
  • Supercritical fluid

ASJC Scopus subject areas

  • Chemical Engineering (all)

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