CFD-PBM Simulation of Nickel-Manganese-Cobalt Hydroxide Co-precipitation in CSTR

The co-precipitation of Ni 0.8 Mn 0.1 Co 0.1 (OH) 2 in a pilot-scale CSTR is simulated by adopting the CFD-PBM approach combined with the operator-splitting method. It is shown that the excessive total computational time can affect the applicability of the approach, hence necessity of using massive parallel calculations. However, the effectiveness of the parallel calculation is limited unless an algorithm is implemented to balance the load of the source integration across computing processors

CFD-PBE modelling of continuous Ni-Mn-Co hydroxide co-precipitation for Li-ion batteries

A modelling framework is proposed to simulate the co-precipitation of Ni-Mn-Co hydroxide as precursor of cathode material for lithium-ion batteries. It integrates a population balance equation with computational fluid dynamics to describe the evolution of the particle size in (particularly continuous) co-precipitation processes. The population balance equation is solved by employing the quadrature method of moments. In addition, a multi-environment micromixing model is employed to consider the potential effect of molecular mixing on the fast co-precipitation reaction. The modelling framework is used to investigate the co-precipitation of Ni0.8Mn0.1Co0.1(OH)2 in a multi-inlet vortex micromixer, as a suitable candidate for the study of fast co-precipitation processes in continuous mode. Finally, the simulation results are discussed, and the role of the different phenomena involved in the formation and evolution of particles is identified by inspecting the predicted trends

Electrochemical performance optimization of NMC811 through the structure design of its precursor

This paper presents a study on the effect of the precursor structure on NMC811 electrochemical properties. The influence of different parameters, such as morphology and crystallinity of the precursor, Ni0.8Mn0.1Co0.1(OH)2, on the final electrochemical performance of NMC811 are analyzed. To ensure a correct and fast mixing of the precursor reactants and prepare the Ni0.8Co0.1Mn0.1(OH)2, a novel approach is used employing a micromixer, thus enabling the collection of the precipitated metal hydroxide within a few seconds after its precipitation. Then the precursor is calcinated together with a Li source to obtain the NMC811 cathode material. When analyzing the aging time of the precursor, between collection and calcination, it is observed that the primary particles of the precursor grow and become more crystalline, adopting a lamellar shape, while the secondary particles turn more compact, when increasing the aging time. The NMC materials synthesized from the aged precursors have smoother primary particles, exposing clearer crystalline planes. This change in morphology is also evidenced in the crystalline structure where an increase in the aging time produces better layered materials with a lower cation mixing index. The well-ordered structure impacts the electrochemical characteristics; indeed, the aged precursor produces NMC with higher specific capacity, better cyclability and lower capacity fade