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Add example notebook for adjustment of PC-SAFT parameters #175

Merged
merged 8 commits into from
Oct 26, 2023
Merged

Add example notebook for adjustment of PC-SAFT parameters #175

merged 8 commits into from
Oct 26, 2023

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g-bauer
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@g-bauer g-bauer commented Jul 17, 2023 •
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This PR adds example notebooks for parameter adjustment of

  • PC-SAFT parameters of a pure substance (data: correlation from NIST WebBook)
  • PC-SAFT $k_{ij}$ parameter adjusted to binary mixture VLE data (data from open SI of Jaubert et al.)
  • Entropy scaling correlation parameters for viscosity using PC-SAFT (data: correlation from NIST WebBook)

@prehner prehner added documentation Improvements or additions to documentation pcsaft Related to the PC-SAFT model labels Jul 26, 2023
@g-bauer g-bauer force-pushed the pc_saft_parameter_adjustment_example branch from 6afae21 to 2d239da Compare October 26, 2023 13:02
@g-bauer g-bauer requested a review from prehner October 26, 2023 13:18
@g-bauer g-bauer merged commit c79c5b4 into main Oct 26, 2023
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@g-bauer g-bauer deleted the pc_saft_parameter_adjustment_example branch October 26, 2023 14:20
@g-bauer g-bauer mentioned this pull request Oct 26, 2023
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@prehner prehner prehner approved these changes

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