A computationally efficient approach to applying the saft equation for co2 + h2o phase equilibrium calculations

Akand W. Islam*, Kamy Sepehrnoori, Tadeusz Patzek

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The statistical associating fluid theory equation of state (EoS) is employed in a time efficient way for the correlation and prediction of vapor-liquid equilibrium of the CO2 + H2O binary system for the temperature (10-100 C) and pressure (1-600 bar) ranges suitable for simulation of CO2 geologic sequestration. The effective number of segments and energy parameter are correlated with the reduced temperature. Simple mixing rules are applied to obtain binary interaction parameters. Assigning a fixed H2O composition in the mixing rule makes the phase equilibrium calculations relatively fast compared to other EoS's. The results obtained by the model used were found to be in satisfactory agreement with the literature data.

Original languageEnglish (US)
Pages (from-to)241-254
Number of pages14
JournalJournal of Solution Chemistry
Volume43
Issue number2
DOIs
StatePublished - Feb 1 2014

Keywords

  • CO + HO
  • Efficient computation
  • Geologic sequestration
  • Phase equilibrium
  • SAFT

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Molecular Biology
  • Physical and Theoretical Chemistry

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