reactions_util
Short description
@author: Moritz F P Becker
- pyrid.reactions.reactions_util.k_macro(D1, D2, k_micro, R_react)[source]
Calculates the macroscopic reaction rate for a bimolecular reaction from the educts diffusion coefficients, the reaction radius and the microscopic reaction rate.
- Parameters
- D1float
Translational diffusion coefficient of educt 1.
- D2float
Translational diffusion coefficient of educt 2.
- k_microfloat
Microscopic reaction rate.
- R_reactfloat
Reaction radius.
- Returns
- float64
Macroscopic reaction rate
- pyrid.reactions.reactions_util.k_micro(System, mol_type_1, mol_type_2, k_macro, R_react, loc_type='Volume')[source]
Calculates the microscopic reaction rate for a bimolecular reaction given the educts diffusion coefficients, the reaction radius and the macroscopic reaction rate.
- Parameters
- Systemobject
Instance of System class.
- mol_type_1string
Name of educt moelcule 1.
- mol_type_2string
Name of educt moelcule 2.
- k_macrofloat
Macroscopic reaction rate.
- R_reactfloat
Reaction radius.
- loc_typestring
Location type of the educts (‘Volume’ or ‘Surface’).
- Returns
- float64
Microscopic reaction rate
Notes
The method used here is only valid for volume moelcules, i.e. diffusion in 3D. For surface molecules a value is also returned, however with a warning.