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LyoPronto.jl

A Julia package providing common computations for pharmaceutical lyophilization.

This provides some of the functionality of LyoPRONTO, a Python package.

This relatively small package provides a standard literature model for simulating primary drying in pharmaceutical lyophilization, alongside robust utilities for a common parameter estimation workflow. This same infrastructure is provided for a model that adds microwave heating.

Some key advantages this has over the original version of LyoPRONTO are:

Speed: on my laptop, the regular model can be simulated in about a millisecond. This becomes most relevant when evaluating the model repeatedly in parameter estimation or constructing large design spaces.
Numerical reliability: in the original LyoPRONTO, bad parameter values (e.g. if input with wrong units or uninformed guesses) easily lead to infinite loops due to the numerical approach used. As a side effect of using a modern library for fast DAE solution, numerical instability errors out instead of hitting an infinite loop.
Units: by using Unitful.jl, this package enforces dimensional correctness while being compatible with either SI marks or traditional units in lyophilization (like $cm^2\ hr\ Torr / g$ for $R_p$).
Flexibility: the utilities for fitting $K_v$ and $R_p$ can be used together to fit both at once, not just separately.

Installation

As a Julia package, this code can be easily installed with the Julia package manager.

From the Julia REPL's Pkg mode (open a REPL and type ] so that the prompt turns blue), add this package as a Git repo:

add https://github.com/LyoHUB/LyoPronto.jl.git

dev can be substituted for add if you want to make changes to this package yourself, as explained in the Julia Pkg manual.

Dependencies and Reexports

This package leverages the strengths of the DifferentialEquations.jl ecosystem to solve equations quickly and efficiently, although it only directly depends on OrdinaryDiffEqRosenbrock and DiffEqCallbacks, which are both reexported.

Also provided are plot recipes for Plots.jl, although this package only depends on RecipesBase.

Heavy use is made of Unitful.jl, which is reexported.

Authors

Written by Isaac S. Wheeler, a PhD student at Purdue University. This work was supported in part by funding for NIIMBL project PC4.1-307 .

License