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Updated notebooks, readme and removed unused data.
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g-bauer committed Oct 26, 2023
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4 changes: 3 additions & 1 deletion examples/pcsaft/parameter_adjustment/README.md
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# Example notebooks for adjusting PC-SAFT parameters to experimental data

- Adjust $m$, $\sigma$ and $\epsilon_k$ for a pure substance. [`adjust_non_polar_non_asssociating.ipynb`](adjust_non_polar_non_asssociating.ipynb).
- Adjust **PC-SAFT parameters** $m$, $\sigma$ and $\epsilon_k$ for a pure substance. [🠒 Notebook](adjust_non_polar_non_asssociating.ipynb)
- Adjust **binary PC-SAFT parameter** $k_{ij}$ to VLE data. [🠒 Notebook](adjust_kij.ipynb)
- Adjust **entropy scaling** correlation parameters for the viscosity of a pure substance using PC-SAFT. [🠒 Notebook](adjust_viscosity_correlation.ipynb)
84 changes: 46 additions & 38 deletions examples/pcsaft/parameter_adjustment/adjust_kij.ipynb

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104 changes: 0 additions & 104 deletions examples/pcsaft/parameter_adjustment/data/hexane_nist.csv

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