The role of the diffusion in the predictions ...
Type de document :
Article dans une revue scientifique
URL permanente :
Titre :
The role of the diffusion in the predictions of the classical nucleation theory for quasi-real systems differ in dipole moment value
Auteur(s) :
Koperwas, Kajetan [Auteur]
Kaśkosz, Filip [Auteur]
Affouard, Frederic [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Grzybowski, Andrzej [Auteur]
Paluch, Marian [Auteur]
Kaśkosz, Filip [Auteur]
Affouard, Frederic [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Grzybowski, Andrzej [Auteur]
Paluch, Marian [Auteur]
Titre de la revue :
Scientific Reports
Nom court de la revue :
Sci Rep
Numéro :
12
Éditeur :
Springer Science and Business Media LLC
Date de publication :
2022-06-10
ISSN :
2045-2322
Résumé en anglais : [en]
In this paper, we examine the crystallization tendency for two quasi-real systems, which differ exclusively in the dipole moment's value. The main advantage of the studied system is the fact that despite that their structures ...
Lire la suite >In this paper, we examine the crystallization tendency for two quasi-real systems, which differ exclusively in the dipole moment's value. The main advantage of the studied system is the fact that despite that their structures are entirely identical, they exhibit different physical properties. Hence, the results obtained for one of the proposed model systems cannot be scaled to reproduce the results for another corresponding system, as it can be done for simple model systems, where structural differences are modeled by the different parameters of the intermolecular interactions. Our results show that both examined systems exhibit similar stability behavior below the melting temperature. This finding is contrary to the predictions of the classical nucleation theory, which suggests a significantly higher crystallization tendency for a more polar system. Our studies indicate that the noted discrepancies are caused by the kinetic aspect of the classical nucleation theory, which overestimates the role of diffusion in the nucleation process.Lire moins >
Lire la suite >In this paper, we examine the crystallization tendency for two quasi-real systems, which differ exclusively in the dipole moment's value. The main advantage of the studied system is the fact that despite that their structures are entirely identical, they exhibit different physical properties. Hence, the results obtained for one of the proposed model systems cannot be scaled to reproduce the results for another corresponding system, as it can be done for simple model systems, where structural differences are modeled by the different parameters of the intermolecular interactions. Our results show that both examined systems exhibit similar stability behavior below the melting temperature. This finding is contrary to the predictions of the classical nucleation theory, which suggests a significantly higher crystallization tendency for a more polar system. Our studies indicate that the noted discrepancies are caused by the kinetic aspect of the classical nucleation theory, which overestimates the role of diffusion in the nucleation process.Lire moins >
Langue :
Anglais
Audience :
Non spécifiée
Établissement(s) :
Université de Lille
CNRS
INRAE
ENSCL
CNRS
INRAE
ENSCL
Collections :
Équipe(s) de recherche :
Matériaux Moléculaires et Thérapeutiques
Date de dépôt :
2022-07-05T17:43:23Z