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Add example notebook for adjustment of PC-SAFT parameters (#175)
* add example notebook for adjustment of PC-SAFT parameters * better formulation and summary * fixed typo * minor changes, added readme, cleaned up imports * Add notebook and data for kij adjustment * Add notebook and data for entropy scaling (viscosity) * Updated notebooks, readme and removed unused data. * Added missing data file, removed notebook that generated data
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| # Example notebooks for adjusting PC-SAFT parameters to experimental data | ||
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| - 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) |
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examples/pcsaft/parameter_adjustment/adjust_non_polar_non_asssociating.ipynb
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examples/pcsaft/parameter_adjustment/adjust_viscosity_correlation.ipynb
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examples/pcsaft/parameter_adjustment/data/hexane_liquid_density.csv
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| 500.0,139.0,488.9440734455953 | ||
| 500.0,140.0,483.07200810489604 | ||
| 500.0,141.0,501.05550161523405 | ||
| 500.0,142.0,475.4921658637216 | ||
| 500.0,143.0,483.6119523880473 | ||
| 500.0,144.0,481.6358961191 | ||
| 500.0,145.0,488.38775206458695 | ||
| 500.0,146.0,485.61780458737496 | ||
| 500.0,147.0,481.2520266802343 | ||
| 500.0,148.0,481.8803238546376 | ||
| 500.0,149.0,490.99336750665856 | ||
| 500.0,150.0,489.52160234693423 |
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