Investigating the effect of shape on particle segregation using a Monte Carlo simulation

A Monte Carlo simulation has been used to investigate the segregation potential of a range of particulate systems under conditions in which the particles undergo high amplitude low frequency shaking. These systems involve a wide range of binary powder mixtures in which complex particle shapes have been investigated, including plates and rods which represent the real world materials encountered in pharmaceutical systems such as those which include crystalline components. Previous simulations on the segregation propensity of systems with different shapes were limited to spheres and spherocylinders, with relatively low vibrational amplitude drops. A commercial computer application for particle packing—called MacroPac—has been successfully employed here, as it has been able to model systems that are more complex where the shape variation is much wider. These simulations apply to the case of macroscopic particles, in the absence of air resistance and inter-particle forces. For non-spherical shapes, an ‘effective size’ which relates to the radius of gyration of the particles is determined. Our studies indicate that with high amplitude low frequency shaking, in a mixture of particles with different shapes but with equal volumes, the particles with the larger ‘effective size’, which tend to have a lower packing fraction, segregate to the top.