Capacity Calculations

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

A pipeline element that calculates variables related to the capacity. Automatically determines the method and unknown. Solves the algebraic equation:

c_max * eps * L * A_cc * (stoich_max - stoich_min) * F / 3600 = capacity,

where capacity can be the electrode capacity, the electrode loading times the area, or the theoretical capacity from the crystal density, fraction of Li per mole of material, and molecular mass of active material. All but one of c_max, eps, L, A_cc, stoich_max, and stoich_min must be provided (stoich_min and stoich_max are only required if use_stoich_window is True). Either capacity, loading, or the crystal density, fraction of Li per mole of material, and molecular mass of active material must be provided.

Parameters

electrodestr

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

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