Crystallization is one of the majorsteps in industrial productionand environmental settings. According to thermodynamics and nucleationtheories, the crystallization kinetics can be controlled by adjustingthe temperature and concentration. The supersaturated liquid is almostalways flown into a crystallization device due to stirring, injection,or other reasons. The role of shear flow on the crystallization kinetics therefore plays a crucial role, but the precise shear-induced nucleationmechanism has so far remained elusive. Here we present a detailedmechanism for the example of glycine, and we validate it by comparingexperimental data to theory. A major result is the confirmation thatnucleation has a maximum as a function of shear, which can lead toa dramatic enhancement of industrial production.Shear rate is a key parameter in cooling crystallization;this research aims to analyze its influence in the scope of classical and nonclassical nucleation theories.

Experimental and Theoretical Investigation of Nonclassical Shear-Induced Nucleation Mechanism for Small Molecule / R. Debuysschère, B. Rimez, A. Zaccone, B. Scheid. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7483. - 23:7(2023 Jun 22), pp. 4979-4989. [10.1021/acs.cgd.3c00232]

Experimental and Theoretical Investigation of Nonclassical Shear-Induced Nucleation Mechanism for Small Molecule

A. Zaccone
Penultimo
;
2023

Abstract

Crystallization is one of the majorsteps in industrial productionand environmental settings. According to thermodynamics and nucleationtheories, the crystallization kinetics can be controlled by adjustingthe temperature and concentration. The supersaturated liquid is almostalways flown into a crystallization device due to stirring, injection,or other reasons. The role of shear flow on the crystallization kinetics therefore plays a crucial role, but the precise shear-induced nucleationmechanism has so far remained elusive. Here we present a detailedmechanism for the example of glycine, and we validate it by comparingexperimental data to theory. A major result is the confirmation thatnucleation has a maximum as a function of shear, which can lead toa dramatic enhancement of industrial production.Shear rate is a key parameter in cooling crystallization;this research aims to analyze its influence in the scope of classical and nonclassical nucleation theories.
English
Settore PHYS-04/A - Fisica teorica della materia, modelli, metodi matematici e applicazioni
Articolo
Esperti anonimi
Pubblicazione scientifica
Goal 3: Good health and well-being
   Solving the multi-scale problem in materials mechanics: a pathway to chemical design (Multimech)
   Multimech
   EUROPEAN COMMISSION
   101043968
22-giu-2023
American Chemical Society (ACS)
23
7
4979
4989
11
Pubblicato
Periodico con rilevanza internazionale
crossref
Aderisco
info:eu-repo/semantics/article
Experimental and Theoretical Investigation of Nonclassical Shear-Induced Nucleation Mechanism for Small Molecule / R. Debuysschère, B. Rimez, A. Zaccone, B. Scheid. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7483. - 23:7(2023 Jun 22), pp. 4979-4989. [10.1021/acs.cgd.3c00232]
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Article (author)
Periodico con Impact Factor
R. Debuysschère, B. Rimez, A. Zaccone, B. Scheid
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/1107843
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