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Crystallization / Precipitation Models

CADET-Core features various crystallization / precipitation mechanisms, modeled using population balance models (PBM). These models are defined by a particle-number continuity equation which describes the evolution of the number density \(n\) of the particles over time \(t\) and with respect to size, the so-called internal coordinate \(x\), and external coordinate \(z\). The external coordinate can be a characteristic dimension of the reactor itself, including its axial length.

The PBM in CADET-Core are implemented in a modular manner and can be used in any unit operation that supports reactions. Typical applications consider crystallization in a CSTR or, to model continuous processes, in a Dispersive Plug-Flow Reactor (DPFR), which can be described by the LRM without solid phase.

For detailed information on the PBM implemented in CADET-Core, please refer to [29] and [30]. A concise overview of the models is provided in the following sections:

• Primary Particle Formation
• Aggregation Models
• Fragmentation Models

Additionally, any combination of these models is also supported. Further, any of these crystallization precipitation models can be combined with any of the transport models listed among the Unit operation models. To this end, most common use-cases consider a Continuous stirred tank reactor model (CSTR) or a dispersive plug-flow reactor (which can be modeled with the Lumped rate model without pores (LRM)).

For detailed information on the crystallization models implemented in CADET, including PBM, aggregation and fragmentation, please refer to [29] and [30].