Predictive models for energy dissipation in mechanochemical ball milling

High-energy ball milling is a versatile method utilized in mechanochemical reactions and material transformations. Understanding and characterizing the relevant mechanical variables is crucial for the optimization and up-scaling of these processes. To achieve this, the present study delves into differentiating the contributions of normal and tangential interactions during high-energy collisions. Using Discrete Element Method (DEM) simulations, we characterize how operational parameters influence these energy dissipation modes, emphasizing the significance of tangential interactions. Our analysis also reveals how different operational parameters such as ball size, fill ratio, and rotational speed affect the mechanical action inside the milling jar giving rise to multiple operating zones where different modes of energy dissipation can thrive. Finally, we present master curves that generalize findings across a wide range of configurations, offering a tool for characterizing and predicting mechanochemical processes beyond the presented cases. These results provide a robust framework for improving mechanochemical reaction efficiency, and equipment design. • Master curves allow predictive dissipation capabilities for untested operational conditions. • Fill ratio influences the contribution of tangential and normal dissipation in the system. • Mechanical characterization of NaBH 4 regeneration is validated by predicting mechanochemical yield.