Počet záznamů: 1
Modeling the competition between polymorphic phases: highlights on the effect of Ostwald ripening
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SYSNO ASEP 0470961 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Modeling the competition between polymorphic phases: highlights on the effect of Ostwald ripening Tvůrce(i) Tahri, Y. (FR)
Kožíšek, Zdeněk (FZU-D) RID, ORCID, SAI
Gagniere, E. (FR)
Chabanon, E. (FR)
Bounahmidi, T. (MA)
Mangin, D. (FR)Celkový počet autorů 6 Zdroj.dok. Crystal Growth & Design. - : American Chemical Society - ISSN 1528-7483
Roč. 16, č. 10 (2016), s. 5689-5697Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova phase transitions ; nucleation ; polymorphic systems Vědní obor RIV BM - Fyzika pevných látek a magnetismus CEP LD15004 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Institucionální podpora FZU-D - RVO:68378271 UT WOS 000384952400015 EID SCOPUS 84990211370 DOI 10.1021/acs.cgd.6b00640 Anotace This work aims to evaluate the effect of Ostwald ripening on the crystallization of polymorphic phases by means of the kinetic equation model, which was adapted to describe the competition between the nucleation, the growth, and the Ostwald ripening of the different phases. The kinetic equation model is a very convenient way to simultaneously implement these three mechanisms and quantify their respective roles on the formation and the dissolution of the clusters: The polymorphic system studied is L-glutamic acid (LGlu), which exhibits two monotropic polymorphs: alpha LGlu and beta LGlu, The model assumptions consider the main differences between both polymorphs (shape) solubility, interfacial energy, and growth rate) as well as the supersaturation decrease:, The simulation results at various temperatures show-that the crystallization process of small nuclei (<40 nm) can be greatly affected by-the Ostwald ripening mechanism. In particular, Ostwald ripening can induce the total dissolution of the stable phase clusters, leading to a result in agreement with the Ostwald rule of stages. Thus, the numerical results suggest that the Ostwald ripening mechanism could explain-the Ostwald rule of stages. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2017
Počet záznamů: 1