Experimental studies and modeling of the roller compaction of pharmaceutical powders

During roller compaction in the pharmaceutical industry, mixtures of active and inert powders are fed via a screw to counter-rotating rolls, drawn into the nip and compacted under hydrostatic and shear stresses. Experimental studies were conducted using microcrystalline cellulose on a roller compactor that measured feed force, surface roll pressure and shear stress. The following observations were made: densification correlated with maximum roll pressure; increasing feed force increased roll gap; and significant variation in roll pressure and shear stress exists in the transverse and rolling directions. A slab model highlighted the importance of roll friction, feed stress and entry angle on pre-densification in the feed zone. 2-D and 3-D explicit finite element models with adaptive meshing and arbitrary Eulerian-Lagrangian capabilities were developed. A Drucker-Prager/cap model was calibrated using diametrical and simple compression and die compaction tests. The roll friction was estimated using a die instrumented to measure radial stress. The effects of roll friction, feed stress, roll gap to diameter and entry angle on roll force, torque, profiles of roll pressure and roll shear stress, nip angle, neutral angle, and relative density were evaluated. The results indicated increasing entry angle, decreasing roll gap to diameter, increasing feed stress and/or increasing roll friction lead to higher maximum roll surface pressure and attendant relative density at the exit. The results may be explained by the nip angle and amount of pre-densification. Simulations with pressure-dependent frictional coefficients indicated significant difference in densification. Oscillating feed stress conditions revealed periodic variations in roll pressures and relative densities. Variations in the through-the-thickness were significant in the slip region and diminished in the nip region. The 3-D model predicted lower roll pressure and densities near the edges due to side seal friction. In addition, variable inflow of material along the roll width was related to variation in roll pressure. Overall, the model predictions followed experimental trends. Microcrystalline cellulose experienced higher expansion on release than predicted - related to its non-linear elastic behavior. Various combinations of boundary conditions and geometrical parameters resulted in similar roll pressure profiles and densification thus accurate experimental inputs are essential for model verification.