Modelling of polymorphic crystals formation in solution

0501988 - FZÚ 2019 CZ eng A - Abstract
Kožíšek, Zdeněk (ed.) - Tahri, Y. - Gagnière, E. - Chabanon, E. - Bounahmidi, T. - Mangin, D.
Modelling of polymorphic crystals formation in solution.
Book of Abstracts of the 28th Joint Seminar Development of Materials Science in Research and Education. Praha: Institute of Physics of the Czech Academy of Sciences, 2018 - (Kožíšek, Z.; Král, R.; Zemenová, P.). s. 31-31. ISBN 978-80-905962-8-3.
[Joint Seminar Development of Materials Science in Research and Education /28./. 03.09.2018-07.09.2018, Pavlov]
R&D Projects: GA MŠMT LD15004
Institutional support: RVO:68378271
Keywords : nucleation kinetics * crystallization in solutions * polymorphic systems
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)

We developed the model of the formation of polymorphic crystals in solution based on the standard kinetic nucleation model. Our model was applied to crystallization of α and β forms of L-glutamic acid (Lglu). Numerical solution of kinetic equations at various temperatures showed that small nuclei (< 40 nm) can dissolve with time in consequence of supersaturation decrease. Thus the nucleation rate, in contrast with the classical nucleation theory, can reach negative values (dissolution of small nuclei). In some cases, the total decay of small clusters occurs, which is in agreement with the Ostwald rule of stages.

Permanent Link: http://hdl.handle.net/11104/0293950