Physics Interface Guide by Space Dimension and Study Type
The table lists the physics interfaces available in the Battery Design Module in addition to those included with the COMSOL basic license.
Chemical Species Transport
Reacting Flow
Reacting Flow in Porous Media
Electrochemistry
Battery Interfaces
Fluid Flow
Porous Media and Subsurface Flow
Heat Transfer
Tutorial of a Lithium-Ion Battery
The following is a two-dimensional model of a lithium-ion battery. The cell geometry could be a small part of an experimental cell but here it is only meant to demonstrate a 2D model setup. The battery contains a positive porous electrode, electrolyte, a negative lithium metal electrode and a current collector. This cell configuration is sometimes called a “half-cell”, since the lithium metal electrode is usually considered to have negligible impact on cell voltage and polarization. A realistic 2D geometry is shown in the model Edge Effects in a Spirally Wound Li-Ion Battery available in the Battery Design Module application library.
Model Definition
The cell geometry is shown in the figure below. Due to symmetry along the height of the battery, the 3D geometry can be modeled using a 2D cross section. The figure shows the positioning of the positive and negative electrodes, and the current collector attached to the positive electrode. The positive electrode is porous and the negative electrode consists of lithium metal.
The modeled 2D cross section is shown in light blue (right).
Since the electrochemical reaction only takes place at the surface of the lithium metal which is in contact with electrolyte in the separator, and the electronic conductivity is very high compared to the porous positive electrode, the thickness of the metal can be neglected in the model geometry. The modeled 2D cell geometry is shown in the figure below. During discharge, the positive electrode acts as the cathode and the contact of the metallic tab acts as a current collector. The lithium metal electrode acts as the anode and current feeder.
The model defines and solves the current and material balances in the lithium-ion battery. The intercalation of lithium inside the particles in the positive electrode is solved using a fourth independent variable r for the particle radius (x, y, and t are the other three). The reaction kinetics and the intercalation are coupled to the material and current balances at the surface of the particles. The model equations are found in the Battery Design Module User’s Guide. The model was originally formulated for 1D simulations by Nobel Laureate John Newman and his co-workers at the University of California at Berkeley. The model is popularly known as pseudo-2D model (or P2D model) in the literature.
Results and Discussion
The purpose of the 2D simulation is to reveal the depth of discharge in the positive electrode, as a function of discharge time. The corresponding current distribution depends on the positioning of the current collector and the thickness of the positive electrode and electrolyte layer, in combination with the electrode kinetics and transport properties.
The figure below shows the concentration of lithium at the surface of the positive electrode particles in the electrodes after 2700 s of discharge at 0.05 A.
The high concentration at the positive electrodes is proportional to the local depth of discharge of these parts of the electrode. The figure shows that the back side of the electrode, with respect to the position of the current collector, is less utilized during discharge. As the discharge process continues, these parts will subsequently discharge. However, for repeated cycling of the cell (charge and discharge), the different parts of the electrodes will age in a nonuniform way if the electrodes are only discharged to a moderate degree during cycling.
Despite the simplicity of this model, it shows a problem that may arise in realistic battery geometry if the shape and configuration of the electrodes, current collectors, and current feeders are not investigated thoroughly using modeling and simulations.
The following instructions show how to formulate, solve, and reproduce this model.