Prediction of the critical properties of mixtures based on group contribution theory

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Abstract

A new simple model was proposed to predict the critical temperature (Tc) and critical pressure (pc) of mixtures based on group contribution (GC) theory. In this model, the critical properties of mixtures can be predicted without critical parameters of each component. The experimental critical temperatures of 169 compounds and 379 binary mixtures as well as experimental critical pressures of 152 compounds and 188 binary mixtures were used to determine the group contribution parameters and model parameters. The average absolute relative deviations (AARDs) of correlation for compounds are 0.54% for Tc and 2.19% for pc. AARDs of correlation for binary mixtures are 1.22% and 4.54% for Tc and pc, respectively. The predictive ability of presented model was evaluated with Tc of 42 binary mixtures and 12 ternary mixtures as well as pc of 8 binary mixtures and 12 ternary mixtures; predicted results agree well with experimental critical properties.

Original languageEnglish
Pages (from-to)313-318
Number of pages6
JournalJournal of Molecular Liquids
Volume271
DOIs
StatePublished - 1 Dec 2018

Keywords

  • Critical pressure
  • Critical temperature
  • Group contribution
  • Mixtures

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