Homogenized Simulation
Fully resolved charging and discharging simulations are based on the voxel geometry and thus fully resolve the micro-structure of the battery. But basically, the charge transport in a battery is one-dimensional. Therefore, BatteryDict also provides a pseudo-2D Newman model simulation with the BESTmeso solver. Although it does not fully resolve the structures within the battery cell, it can provide an approximation for the charging-curve and takes much shorter computation time.

In this model, BatteryDict first calculates input parameters for the homogenized simulation, such as ionic diffusivity and electrical conductivities, see below. These effective parameters depend both on the geometry of the structure and on the material properties of the fully resolved model. With these parameters, the homogenized simulation is able to consider the different characteristics of anode and cathode.
In the next step, the battery structure is then recomposed of representative effective voxels. These voxels are arranged in 1D in the x-direction. Each voxel in the 1D model is now not completely filled with active material, electrolyte or binder, but consists of a mixture of the different materials. The voxel therefore has both active material and electrolyte properties. Ionic and electronic current are computed in this 1D model in charging direction (currently x-direction) and are linked by a Butler-Volmer exchange current.
Each of the 1D voxels contains a sphere-shaped representative active particle for every active material. The effective radius of these spheres is calculated analyzing the fully resolved microstructure and gives a second degree of freedom. This has no spatial dimension and is thus called “pseudo-dimension”. Therefore, the method is called pseudo-2D. With the representative active material particles, it is possible to simulate diffusion of Lithium inside the active material, even if only 1D representative effective voxels are used for the simulation. This is necessary to be able to compute the overpotentials during the charging or discharging simulation. These overpotentials depend on the Lithium concentration at the active materials surface.
The effective parameters are calculated separately for anode and cathode and assigned to the anode and cathode voxels respectively. The concentrations and potentials computed during the charging or discharging simulation however can be different for each voxel.