CADETProcess.equilibria.reaction_equilibria.calculate_buffer_equilibrium#
- CADETProcess.equilibria.reaction_equilibria.calculate_buffer_equilibrium(buffer, reaction_system, constant_indices=None, reinit=True, verbose=False)[source]#
Calculate buffer equilibrium for given concentration.
- Parameters:
- bufferlist of floats
buffer concentration in mM
- reaction_systemMassActionLaw
reaction rates and stoichiometric matrix for calculating equilibrium.
- constant_indiceslist, optional
Indices of fixed target concentration (e.g. proton concentration/pH).
- reinit: Bool, optional
if True, run CADET with initial values to get ‘smooth’ initial values
- verboseBool, optional
if True, print information at every ptc iteration.
- Returns:
- sollist of floats.
buffer equilbrium concentrations