Multi-stage Multi-component Transfer Rate Morphological Population Balance Model for Crystallisation Processes

A model was proposed for single crystals for modeling the non-equilibrium crystal growth (CrystEngComm, 2018, 20, 5143-5153). It describes mathematically and digitally the non-equilibrium growth behavior of single crystals using multi-component transfer rate models, as well as considering multi-component phase equilibria, adsorption, orientation and crystallization of individual molecules on crystal faces. In this paper, the model for single crystal growth is extended to modeling a population of crystals in a crystalliser by incorporating it into morphological population balance equations. The resulting modeling approach, i.e. the multi-stage multi-component transfer rate morphological population balance models (M3PBEs) model is able to predict the spatial and temporal distribution of multi-components inside crystals during the course of crystallisation as well as the multi- component composition in the product crystals. The new modeling approach is introduced by reference to a case study of NaNO3 batch cooling crystallization in water.