Rights statement: 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 http://onlinelibrary.wiley.com/doi/10.1002/anie.201501216/abstract This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
Accepted author manuscript, 3.65 MB, Word document
Available under license: CC BY: Creative Commons Attribution 4.0 International License
15.7 KB, Word document
Available under license: CC BY: Creative Commons Attribution 4.0 International License
Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
}
TY - JOUR
T1 - Secondary crystal nucleation
T2 - nuclei breeding factory uncovered
AU - Anwar, Jamshed
AU - Khan, Shahzeb
AU - Lindfors, Lennart
N1 - 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 http://onlinelibrary.wiley.com/doi/10.1002/anie.201501216/abstract This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
PY - 2015/12/1
Y1 - 2015/12/1
N2 - 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.
AB - 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.
KW - classical nucleation theory
KW - crystal seeding
KW - crystallization
KW - molecular dynamics simulation
KW - secondary nucleation
U2 - 10.1002/anie.201501216
DO - 10.1002/anie.201501216
M3 - Journal article
VL - 54
SP - 14681
EP - 14684
JO - Angewandte Chemie International Edition
JF - Angewandte Chemie International Edition
SN - 1433-7851
IS - 49
ER -