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RUPTURA => Isotherm fitting => Topic started by: evZENy on April 24, 2025, 05:28:02 AM

Title: multiple temperatures
Post by: evZENy on April 24, 2025, 05:28:02 AM
We usually collect isotherms at different temperatures and fit them all to the same model.
Most of my experience has been with Dual-Site Langmiur, the output providing some thermodynamic parameters.
And also help plug-in the parameters for mixed isotherms (e.g., IAST).

I am still new to RUPTURA - seems to be much more powerful, but with power comes too many options.
Are there examples where the data isotherms collected at different temperatures is fit?
Title: Re: multiple temperatures
Post by: David Dubbeldam on April 28, 2025, 08:44:26 PM
You can fit them in any way that you want, the models are just a description of the isotherm.
RUPTURA fits a single isotherm with a chosen model. For dual-site Langmuir you get 4 parameters back that give a functional form of the isotherm. You could also fit the isotherm with your own software and put in the obtained parameters in RUPTURA to then compute the breakthrough using that isotherm model and parameters.