Analysis of Solvent‐Free Intensive‐Dry‐Mixed NMC‐Based Lithium‐Ion Battery Cathodes: Numerical Investigations on Performance Determinants

Within the framework of this contribution, the implications of intensive-dry mixing on the resulting cathode microstructure and hence electrochemical performance was numerically investigated. In this regard, characterisation as well as scale-resolving electrochemical performance simulations were carried out. The basis for these numerical investigation were computer generated cathode geometries, generated by means of a discrete element method simulation model presented in our previous work. Consequently, three different stages of comminution of the conductivity additive during intensive dry mixing with nickel rich active material were incorporated into computational half cells and classified based on the simple quality parameter bulk density. Furthermore, the possible coating phenomenon occurring during the process to which the bulk density measurements are not susceptible, was modelled with the help of a numerical parameter called the coating factor. It was found that, bulk density of cathode blends which is a rather trivial parameter to measure from intensive dry mixed blends, could be strongly correlated to cathode performance under the consideration of solvent free manufacturing. The insights derived from the performance investigations have been formulated as guidelines for cell design.