En route to multi-model scheme for clinker comminution with chemical grinding aids

Abstract

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