How to calculate kij through PC-SAFT in Clapeyron？

[Chaunceywei]

How to calculate kij through PC-SAFT in Clapeyron？

[longemen3000]

do you mean estimate PC-SAFT kij values, given equilibrium data?

[Chaunceywei]

yes, by fitting experimental data to obtain kij

[pw0908]

You can take a look at the example notebooks here: https://github.com/ClapeyronThermo/Clapeyron.jl/blob/master/examples/parameter_estimation.ipynb

The relevant example will be that of NRTL where, rather than fitting kij, youll be fitting the unlike epsilon parameter (epsilon_ij). This parameter is also symmetric, so no need to worry about asymmetries.

Hope this helps!

[Chaunceywei]

Thanks for your reminder! this helped me a lot