Crossover

Class to include redox-active crossover mechanisms.

class src.rfbzero.crossover.Crossover(membrane_thickness: float, permeability_ox: float, permeability_red: float)[source]

Provides crossover mechanism for optional use in ZeroDModel.

Parameters:

  • membrane_thickness (float) – Membrane thickness (microns).

  • permeability_ox (float) – Permeability of oxidized species through membrane (cm^2/s).

  • permeability_red (float) – Permeability of reduced species through membrane (cm^2/s).

Notes

Crossover is only available for a symmetric cell, as it is indistinguishable from a first order degradation mechanism in a single reservoir of a full cell, when no interactions between crossing posolyte/negolyte species are taken into consideration. Current-driven crossover cannot currently be simulated in rfbzero.py.

crossover(geometric_area: float, c_ox_cls: float, c_red_cls: float, c_ox_ncls: float, c_red_ncls: float, volume_cls: float, volume_ncls: float, time_step: float) → tuple[float, float, float, float, float, float][source]

Calculation of crossover species, considering permeabilities of oxidized/reduced species.

Parameters:

  • geometric_area (float) – Geometric area of cell (cm^2).

  • c_ox_cls (float) – CLS concentration of oxidized species (M).

  • c_red_cls (float) – CLS concentration of reduced species (M).

  • c_ox_ncls (float) – NCLS concentration of oxidized species (M).

  • c_red_ncls (float) – NCLS concentration of reduced species (M).

  • volume_cls (float) – Volume of CLS reservoir (L).

  • volume_ncls (float) – Volume of NCLS reservoir (L).

  • time_step (float) – Time interval size (s).

Returns:

  • delta_ox_cls (float) – Change in concentration of oxidized species (M) in the CLS.

  • delta_red_cls (float) – Change in concentration of reduced species (M) in the CLS.

  • delta_ox_ncls (float) – Change in concentration of oxidized species (M) in the NCLS.

  • delta_red_ncls (float) – Change in concentration of reduced species (M) in the NCLS.

  • crossed_ox_mols (float) – Oxidized species crossing at given time step (mol).

  • crossed_red_mols (float) – Reduced species crossing at given time step (mol).