SolMod.jl is a Julia package used for the prediction of solubility with the focus on creating ternary phase diagrams for pharmaceutical solubility of enantiopure drugs.

The documentation is laid out as follows:

• Background: Find scientific basis to determine the activity coefficient of a compound in a mixture and find the point of solubility.

• Basic Usage: Find out how to use the available models to determine the activity coefficient and the respective solubility of a molecule.

• Notebook Examples: A list of available notebooks showcasing different functionalities of the package.

• API: A list of all available methods.

• Thermodynamic Models:

  • Empirical Models:

    • NRTL
    • UNIQUAC

  • Semi-Empirical Models:

    • NRTL-SAC
    • UNIQUAC-SAC

  • Custom Model

Author

• Roberto Gambarini, Imperial College London

License

SolMod.jl is licensed under the MIT license.