Fast charging of batteries reduces the accessible cell capacity. The GeoApp Battery Capacity Test allows prediction and easy comparison of accessible cell capacity for different charge rates. A voltage window can be defined in the same way as it is defined in experiments for a battery or electrode.
A charging profile, consisting of 4 steps is computed for each charge rate:
Charging (delithiation) with constant charge rate till a defined maximum voltage
Charging (delithiation) with constant voltage till a limiting C-rate or maximum time
Relaxation to equilibrium
Discharging (lithiation) with constant charge rate till a defined minimum voltage
Needed Modules:
BatteryDict
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Parameters
Clicking Edit... opens the Battery Capacity Test dialog. At the top, define a Result File Name for the result file and the result folder containing the generated structure and volume fields.
Browse for the Result File of a Charge Battery Simulation. This result file is created by successfully running the BatteryDict commands Charge Battery or Charge Electrode. It contains all the necessary parameters. The parameters from the Constituent Materials, Solver and Output Options tab as well as the Boundary Conditions in Tangential Directions defined under the Experiment tab are used for the simulations in the GeoApp Battery Capacity Test. The other settings under the Experiment tab are replaced by a charging profile set according to the input parameters defined in the GeoApp dialog.
Define the voltage range for the battery capacity test by entering Minimum Voltage and Maximum Voltage. Below the settings for the User Guide example are entered.
Choose the Boundary Conditions in Through Direction.
Charge Rate: Specify a charge rate. The necessary current density for the given charge rate will be calculated by the solver.
Current Density: Specify a current density.
Current: Specify a current. Please note, that the current in the microstructure is very small.
Below the settings for the User Guide example are entered.
Decide whether the values for the selected Charging / Discharging Type should be the same for both processes or different. Enter the values in the table. As soon, as you enter a value, another row appears in the table. Fill in a many rows as desired. A simulation will be run for each row, and the accessible capacities for all simulations will be compared in the GeoApp's Result File.
Check Use Perfect Relaxation if a perfect relaxation to equilibrium after charging/delithiation should be assumed.
Otherwise, define a Relaxation Time for defining the time after that the relaxation of the cell is stopped.
Below the settings for the User Guide example are entered.
Results
After successfully running the command, the result file created is opened in the GeoDict Result Viewer.
Under the Results-Report subtab, the file names of all simulations run, and saved in the project folder, are listed. The accessible area-normalized and mass-normalized cell capacities are shown in separate tables for the charging/delithiation and discharging/lithiation.
Under the Results - Plots subtab, the results of the simulations are compared in different ways. The whole charge curve for all simulations is shown as Cell potential over time.
Under the following tabs, the cell potential of all simulations is shown for charging / delithiation and discharging / lithiation separately. First as cell potential over the cell state of charge, and then over the area-normalized and mass-normalized cell capacity density.
The two tabs Accessible area-normalized cell capacity and Accessible mass-normalized cell capacity over charge rate for charging and discharging, compare the accessible capacities for the different simulations. These values are also listed in the Report.
Finally, the plot under the last tab shows the Power density over the energy density computed for the charging step 1, charging with constant charge rate.
In the Result Folder find the intermediate results from the charging simulations for the different charging steps: