Phase equilibrium calculations for multi-component polar fluid mixtures with tPC-PSAFT

Eirini K. Karakatsani, Ioannis Economou

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

The truncated Perturbed-Chain Polar Statistical Associating Fluid Theory (tPC-PSAFT) is applied to a number of different mixtures, including binary, ternary and quaternary mixtures of components that differ substantially in terms of intermolecular interactions and molecular size. In contrast to most other SAFT versions, tPC-PSAFT accounts explicitly for polar forces. Three pure-component parameters are required for non-polar and non-associating compounds, two additional parameters characterize the association contribution and one parameter is needed to account for polar interactions. The experimental dipole and/or quadrupole moment and/or polarizability of the component are used to calculate polar interactions. Using a temperature-independent interaction parameter kij for each binary system, tPC-PSAFT provides accurate prediction of multi-component phase behavior over a wide range of conditions.

Original languageEnglish
Pages (from-to)265-271
Number of pages7
JournalFluid Phase Equilibria
Volume261
Issue number1-2
DOIs
Publication statusPublished - 1 Dec 2007
Externally publishedYes

Fingerprint

Phase equilibria
Fluids
fluids
interactions
Phase behavior
Binary mixtures
Association reactions
binary mixtures
quadrupoles
dipoles
moments
predictions
Temperature
temperature

Keywords

  • Multi-component mixtures
  • Perturbation theory
  • Polar fluids
  • SAFT

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Phase equilibrium calculations for multi-component polar fluid mixtures with tPC-PSAFT. / Karakatsani, Eirini K.; Economou, Ioannis.

In: Fluid Phase Equilibria, Vol. 261, No. 1-2, 01.12.2007, p. 265-271.

Research output: Contribution to journalArticle

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