Capacity Calculations

class ionworkspipeline.calculations.ElectrodeCapacity(electrode, unknown, method, use_stoich_window=False)

A pipeline element that calculates variables related to the capacity.

Parameters

electrodestr

The electrode to calculate the capacity for, either “positive” or “negative”.

unknownstr

The variable to calculate. Can be “maximum concentration”.

methodstr
The method to use to calculate the unknown. Can be:
  • “loading”

    Use the electrode loading, electrode geometry and active material volume fraction to calculate the maximum concentration.

  • “theoretical”

    Use the crystal density, the fraction of Li per mole of material and the molecular mass of active material to calculate the maximum concentration.

  • “capacity”

    Use the electrode capacity (as determined from a test or other means), electrode geometry and active material volume fraction to calculate the maximum concentration.

use_stoich_windowbool, optional

Whether to use the minimum and maximum stoichiometry to calculate the maximum concentration. This should be set to True if the provided capacity or loading is based on a voltage window that is smaller than the entire limit of the material, such as providing a capacity based on an RPT cycling the cell from 0 to 100% SOC. It should be set to False if the capacity or loading is based on the entire voltage limit of the material, such as if the capacity is provided based on the ocv fitting process from Ionworks Pipeline.

Extends: ionworkspipeline.calculations.calculation.Calculation

class ionworkspipeline.calculations.MSMRFullCellCapacities(data, parameter_format='total capacity')

A pipeline element that calculates variables related to the capacity from the MSMR full-cell balance.

Parameters

datastr or dict

The data to use to calculate the useable capacity, see Objective.

parameter_formatstr, optional

The format of the parameters to fit. One parameter is always the lower excess capacity, and this option determines the other parameter, which can be either the total capacity or the upper excess capacity. Default is “total capacity”. (Q_tot = Q_lowex + Q_use + Q_uppex)

Extends: ionworkspipeline.calculations.calculation.Calculation