Secondary crystal nucleation : nuclei breeding factory uncovered

Anwar, Jamshed and Khan, Shahzeb and Lindfors, Lennart (2015) Secondary crystal nucleation : nuclei breeding factory uncovered. Angewandte Chemie International Edition, 54 (49). pp. 14681-14684. ISSN 1433-7851

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Secondary nucleation, wherein crystal seeds are used to induce crystallization, is widely employed in industrial crystallizations. Despite its significance, our understanding of the process, particularly at the molecular level, remains rudimentary. An outstanding question is why do a few seeds give rise to a many-fold increase in new crystals? Using molecular simulation coupled with experiments we have uncovered the molecular processes that give rise to this autocatalytic behavior. The simulations reveal formation of molecular aggregates in solution, which on coming in contact with the surface of the seed undergo nucleation to form new crystallites. These crystallites are weakly bound to the crystal surface and can be readily sheared by fluid, making the seed surfaces available again to repeat the process. Further, the new crystallites on development can in turn serve as seeds. This mechanistic insight will enable better control in engineering crystalline products to design.

Item Type:
Journal Article
Journal or Publication Title:
Angewandte Chemie International Edition
Additional Information:
This is the peer reviewed version of the following article:Anwar, J., Khan, S. and Lindfors, L. (2015), Secondary Crystal Nucleation: Nuclei Breeding Factory Uncovered. Angew. Chem. Int. Ed.. doi: 10.1002/anie.201501216 which has been published in final form at This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
Uncontrolled Keywords:
?? classical nucleation theorycrystal seeding crystallization molecular dynamics simulationsecondary nucleationgeneral chemistrycatalysischemistry(all) ??
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Deposited On:
03 Jul 2015 14:02
Last Modified:
16 Jul 2024 09:44