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Parameters

This directory contains files with parameters for SAFT-VRQ Mie 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

  • Para-hydrogen, ortho-hydrogen, and normal hydrogen (3:1 mixture of ortho- and para-hydrogen) have different parameters. Use the name field of the identifier to distinguish between the different versions. Using other identifier fields (e.g. formula or smiles) may lead to the wrong set of parameters being used.
  • Following Aasen et al. (2019) we provide separate parameters for the specific orders of the Feynman-Hibbs correction. The compatible order is denoted in the "model" column.

Pure Substance Parameters

file model publication
aasen2019.json first-order Feynman-Hibbs correction parameters. 🔗
hammer2023.json first-order Feynman-Hibbs correction parameters used for (but not adjusted to) surface tensions. 🔗

Binary Parameters

file model publication
aasen2020_binary.json first-order Feynman-Hibbs correction binary interaction parameters. Compatible with aasen2019.json and hammer2023.json 🔗