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README.md

ePC-SAFT Parameters

This directory contains files with parameters for ePC-SAFT equation of state. The files named according to the pattern NameYear.json correspond to published parameters. The corresponding publication is provided in the literature.bib file.

Notes

  • Experimental data for the permittivity has not been part of the original publication and has been added.
  • Ion permittivity has been set to 8.0 as in Bülow et al. (2021).
  • Contains only univalent cations and anions from Held et al. (2014) and carbonate. Multivalent ions need to be added.
  • Correlation for k_ij of water/Na+ and water/K+ has not been adapted from Held et al. (2014). Instead, a constant value at 298.15 K is assumed.

Pure Substance Parameters

file model publication
held2014_w_permittivity_added.json parameters for univalent ions and water. 🔗

Binary Parameters

file model publication
held2014_binary.json binary parameters for univalent ions and water. 🔗