LaNi5 Hydrogen Gas Absorption/Desorption Simulation

I want a simulation for LaNi5 that shows the absorption and desorption of hydrogen gas. I also have the temperatures, plateau pressures for isotherms or raw experimental data, and catalysts presence. I want to see two separate events: an event that is portable hydrogen storage and an event that is fixed hydrogen storage. If it can be Python, that would be great. I do not have access to Ansys at the moment. If it is Ansys, then I would request a video of the data or a visual representation if possible. Please send me your short proposal if your are interested with any experience of previous project. Just start with the basics, mass balance, charge balance, then define what reacts to make what. Those equations then spell out the equilibrium condition(s), usually as a series of simultaneous equations. From there, I will try those out, see how it fits the data, modify the model as you go. Compare the isotherm approach with the equilibrium constants approach, ultimately they should say kind of the same thing for weak binding, then diverge for strong binding. Later on, I will tackle ANSYS /Comsol once you have I equations working. Or I will use matlab or octave (octave is free matlab) to add in a diffusion term. I am also sharing the reference paper link, Deliverables: Python Mathematical model Ansys Simulation for the hydrogen reactor Ansys simulation files for the above mentioned scenarios [login to view URL] Thank you