A route map for modelling pharmaceutical manufacturing processes utilising morphological population balance (MPB) is presented in terms of understanding and controlling of particle shape and size for optimising the efficiency of both the manufacturing process and final properties of the formulated drugs. This is applied to batch cooling crystallisation of the pharmaceutical compound, ibuprofen, from supersaturated ethanolic solutions in which the MPB is combined the known crystal morphology and associated face-specific growth kinetics (Nguyen et al., CrystEngComm, 2014, 16, 4568-4586) to predict the temporal evolution of the shape and size distributions of all crystals. The MPB simulations capture the temporal evolution of the size and shape of ibuprofen crystals and their distributions at each time instance during the crystallisation processes. The volume equivalent spherical diameter and crystal size distribution converted from MPB simulation are validated against the experimentally studies on the 1 litre scale size (Rashid et al., Chem Eng Res & Des, 2012, 90, 158-161), confirming the promise of this approach as a powerful simulation, optimisation and control tool for the digital design of precision pharmaceutical processes and products with the desirable properties, with potential applications in crystallisation design for personalised medicines.
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