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.

Installing SolMod

To install SolMod, launch Julia with

> julia

Hit the ] key to enter Pkg mode, then type

Pkg> add https://github.com/RGambarini/SolMod.jl#main

Exit Pkg mode by hitting backspace.

Once SolMod.jl is installed, it can be loaded using:

using SolMod

If we want to predict a solubility curve for the single enantiomer we can use the following command:

NRTL_solubilityCurve(params, [298, 334], "Solvent", guess = 0.12, components = 3)

We can also calculate ternary phase solubility for a mixture of enantiomers. We start by defining the method we will use to calculate the activity coefficient as a function:

γi() = NRTL_activityCoefficient(params, "Solvent", 328.15)
γj() = NRTL_activityCoefficient(params, "Solvent", 328.15, e = false)

Then we feed use it to calculate the solubility at every possible composition of the mixture:

ternaryPhase(params, γi, γj, 328.15)

To remove the package, hit the ] key to enter Pkg mode, then type

Pkg> rm SolMod

Package in active Development

Note that at its current stage, SolMod is still in the early stages of development, and things may be moving around or changing rapidly.

If you find any issue, feel free to contact me directly through my email, or open a Github issue.