Modeling the competition between polymorphic phases: highlights on the effect of Ostwald ripening

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F16%3A00470961" target="_blank" >RIV/68378271:_____/16:00470961 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.cgd.6b00640" target="_blank" >http://dx.doi.org/10.1021/acs.cgd.6b00640</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.cgd.6b00640" target="_blank" >10.1021/acs.cgd.6b00640</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Modeling the competition between polymorphic phases: highlights on the effect of Ostwald ripening

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Modeling the competition between polymorphic phases: highlights on the effect of Ostwald ripening

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

—

Projekt

<a href="/cs/project/LD15004" target="_blank" >LD15004: Kinetika nukleace krystalů v uzavřených systémech</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Crystal Growth & Design

ISSN

1528-7483

e-ISSN

—

Svazek periodika

16

Číslo periodika v rámci svazku

10

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

5689-5697

Kód UT WoS článku

000384952400015

EID výsledku v databázi Scopus

2-s2.0-84990211370