Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
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Updated
Jan 11, 2025 - Python
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Pytherm: An open-source scientific tool for thermodynamic modeling
AqSolDB: A curated aqueous solubility dataset contains 9.982 unique compounds.
Hansen Solubility Parameters in Python.
This Python program constructs a ternary phase diagram of the water-acetone-1-butanol system with the help of the "python-ternary" module by Marcharper. Experimentally-obtained volume fractions of each liquid component are provided as the source data. This was created as part of Experiment #5 of CHEM 171.41 LAB (Physical Chemistry 1 LAB).
Prediction of multicomponent solubility for organic molecules (ML-based)
Models in the paper: https://pubs.acs.org/doi/full/10.1021/acssuschemeng.2c05199
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