Difference in colloidal isotherm behavior between v4.4 and v5.0

CADET Troubleshooting
3

Ah, yes, now I remember :smiley:

We did change it and didn’t list the change because the isotherm was a “new” addition in v5. Sorry about that. I hope it didn’t eat too much of your time.

Here are the changes, you can see them in the src/libcadet/model/binding/ColloidalBinding.cpp file in this PullRequest

  1. Renamed COL_RADIUS to COL_PROTEIN_RADIUS
  2. Fixed kappa factors not adhering to SI units by changing it from \kappa = \frac{10^9}{\kappa_f c_0^{\kappa_e} + \kappa_c} to \kappa = \frac{1}{\kappa_f c_0^{\kappa_e} + \kappa_c}. So you’ll need to adapt your COL_KAPPA_FACT and COL_KAPPA_CONST by 10^9.
  3. Fixed a bug in the analytical Jacobian, so it works now and can speed up the simulation time if enabled.
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