Multiscale experimental study and modeling of L-glutamic acid crystallization: emphasis on a kinetic explanation of the ostwald rule of stages

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00508097" target="_blank" >RIV/68378271:_____/19:00508097 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1021/acs.cgd.9b00217" target="_blank" >https://doi.org/10.1021/acs.cgd.9b00217</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.cgd.9b00217" target="_blank" >10.1021/acs.cgd.9b00217</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Multiscale experimental study and modeling of L-glutamic acid crystallization: emphasis on a kinetic explanation of the ostwald rule of stages

Popis výsledku v původním jazyce

This work presents an experimental and a numerical study to highlight a kinetic explanation of the Ostwald rule of stages (ORS). To demonstrate this explanation, l-glutamic acid (LGlu) (a monotropic system with two polymorphs) was crystallized in three different scales: liter scale in a 2 L stirred crystallizer, milliliter scale in a 4 mL stagnant cell, and microliter scale in microfluidic channels. The LGlu polymorphic system was found to follow the ORS at low temperature (between 5 and 30 °C). However, in similar operating conditions, the stable polymorph crystallized preferentially or exclusively in the stagnant cell and in microfluidics. To explain the ORS in the stirred crystallizer at low temperature, a model based on the kinetic equation was used. The numerical results showed that the Gibbs–Thomson effect is a key factor in polymorph competition and that considering this effect, in certain kinetic and equilibrium conditions, could allow explaining and simulating the ORS.

Název v anglickém jazyce

Multiscale experimental study and modeling of L-glutamic acid crystallization: emphasis on a kinetic explanation of the ostwald rule of stages

Popis výsledku anglicky

This work presents an experimental and a numerical study to highlight a kinetic explanation of the Ostwald rule of stages (ORS). To demonstrate this explanation, l-glutamic acid (LGlu) (a monotropic system with two polymorphs) was crystallized in three different scales: liter scale in a 2 L stirred crystallizer, milliliter scale in a 4 mL stagnant cell, and microliter scale in microfluidic channels. The LGlu polymorphic system was found to follow the ORS at low temperature (between 5 and 30 °C). However, in similar operating conditions, the stable polymorph crystallized preferentially or exclusively in the stagnant cell and in microfluidics. To explain the ORS in the stirred crystallizer at low temperature, a model based on the kinetic equation was used. The numerical results showed that the Gibbs–Thomson effect is a key factor in polymorph competition and that considering this effect, in certain kinetic and equilibrium conditions, could allow explaining and simulating the ORS.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

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

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

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

19

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

3329-3337

Kód UT WoS článku

000470938700030

EID výsledku v databázi Scopus

2-s2.0-85065761185