CADETProcess.equilibria.reaction_equilibria.calculate_buffer_equilibrium#
- CADETProcess.equilibria.reaction_equilibria.calculate_buffer_equilibrium(buffer: Sequence[float], reaction_system: MassActionLaw, constant_indices: Sequence[int] | None = None, reinit: bool = True, verbose: bool = False) list[float][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