This thesis concerns the construction of a detailed, compartmental population balance model for twin-screw granulation using the stochastic weighted particle method. A number of new particle mechanisms are introduced and existing mechanisms augmented including immersion nucleation, coagulation, breakage, consolidation, liquid penetration, primary particle layering and transport. The model’s predictive power is assessed over a range of liquid-solid mass feed ratios using existing experimental data and is demonstrated to qualitatively capture key experimental trends in the physical characteristic of the granular product. As part of the model development process, a number of numerical techniques for the stochastic weighed method are constructed in order to efficiently solve the population balance model. This includes a new stochastic implementation of the immersion nucleation mechanism and a variable weighted inception algorithm that dramatically reduces the number of computational particles (and hence computational power) required to solve the model. Optimum operating values for free numerical parameters and the general convergence properties of the complete simulation algorithm are investigated in depth. The model is further refined though the use of distinct primary particle and aggregate population balances, which are coupled to simulate the complete granular system. The nature of this coupling permits the inclusion of otherwise computational prohibitive mechanisms, such as primary particle layering, into the process description. A new methodology for assigning representative residence times to simulation compartments, based on screw geometry, is presented. This residence time methodology is used in conjunction with the coupled population balance framework to model twin-screw systems with a number of different screw configurations. The refined model is shown to capture key trends attributed to screw element geometry, in particular, the ability of kneading elements to distribute liquid across the granular mass.

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