Crystallization Process Modelling: From Molecular to Process Scale

Dear Colleagues,

Crystallization plays an essential role in the isolation, purification and synthesis of a wide verity of inorganic and organic solid products, such as agrochemicals, catalysts, fine or specialty chemicals and active pharmaceuticals ingredients. The design and process conditions within crystallizers directly influence the properties of the final products, such as the crystal size and shape distributions, morphology, polymorphic form and purity, which in turn determine product quality and performance. First-principle-based crystallization process models are becoming more commonly applied in research and development across many industrial sectors, as well as in academic research, so as to predict a product’s critical quality attributes for crystallization processes for a wide range of critical process parameters. These models can provide better and deeper understanding of the relationship between crystallization kinetics, i.e., primary/secondary nucleation and crystal growth, in a given solvent environment and the product attributes facilitating design, optimization and reliable scale-up of crystallization processes.

The aim of this Special Issue of the Processes journal is to provide a platform for scientists and engineers in the industry and academia to report their latest and original research on the development and application of crystallization process models encompassing molecular to process scales. This Special Issue topics will include the modelling of fundamental crystallization phenomena, such as primary and secondary nucleation, crystal growth, solution and growth interface structure, solid–solvent interactions, as well as crystallization processes using population balance modelling for the predictions of crystal size and shape distributions, process scale-up and control.

Dr. Tariq Mahmud
Dr. Robert B. Hammond
Guest Editors

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

• nucleation
• crystal growth
• molecular modelling
• population balance modelling
• multiscale modelling
• model-based design and control