  We present a multi-model simulation approach, targeted at understanding the
behavior of comminution and the effect of grinding aids (GAs) in industrial
cement mills. On the atomistic scale we use Molecular Dynamics (MD) simulations
with validated force field models to quantify elastic and structural
properties, cleavage energies as well as the organic interactions with mineral
surfaces. Simulations based on the Discrete Element Method (DEM) are used to
integrate the information gained from MD simulations into the clinker particle
behavior at larger scales. Computed impact energy distributions from DEM mill
simulations can serve as a link between large-scale industrial and laboratory
sized mills. They also provide the required input for particle impact
fragmentation models. Such a multi-scale, multi-model methodology paves the way
for a structured approach to the design of chemical additives aimed at
improving mill performance.
