Аннотация
We present a multimodel simulation approach, targeted at understanding
the behaviour of comminution and the effect of grinding aids 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 behaviour 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 multiscale, multimodel methodology paves
the way for a structured approach to the design of chemical additives
aimed at improving mill performance.
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