Non-Ideality in Thymol + Menthol Type V ...
Type de document :
Article dans une revue scientifique
URL permanente :
Titre :
Non-Ideality in Thymol + Menthol Type V Deep Eutectic Solvents
Auteur(s) :
Schaeffer, Nicolas [Auteur]
Universidade de Aveiro
Abranches, Dinis O. [Auteur]
Universidade de Aveiro
Silva, Liliana P. [Auteur]
Universidade de Aveiro
Martins, Mónia A.R. [Auteur]
Universidade de Aveiro
Carvalho, Pedro J. [Auteur]
Universidade de Aveiro
Russina, Olga [Auteur]
Università degli Studi di Roma "La Sapienza" = Sapienza University [Rome] [UNIROMA]
Istituto di Struttura della Materia [CNR-ISM]
Triolo, Alessandro [Auteur]
Istituto di Struttura della Materia [CNR-ISM]
Paccou, Laurent [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Guinet, Yannick [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Hedoux, Alain [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Coutinho, João A.P. [Auteur]
Universidade de Aveiro
Universidade de Aveiro
Abranches, Dinis O. [Auteur]
Universidade de Aveiro
Silva, Liliana P. [Auteur]
Universidade de Aveiro
Martins, Mónia A.R. [Auteur]
Universidade de Aveiro
Carvalho, Pedro J. [Auteur]
Universidade de Aveiro
Russina, Olga [Auteur]
Università degli Studi di Roma "La Sapienza" = Sapienza University [Rome] [UNIROMA]
Istituto di Struttura della Materia [CNR-ISM]
Triolo, Alessandro [Auteur]
Istituto di Struttura della Materia [CNR-ISM]
Paccou, Laurent [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Guinet, Yannick [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Hedoux, Alain [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Coutinho, João A.P. [Auteur]
Universidade de Aveiro
Titre de la revue :
ACS Sustainable Chemistry & Engineering
Numéro :
9
Pagination :
2203-2211
Éditeur :
ACS Publications
Date de publication :
2021-01-28
ISSN :
2168-0485
Mot(s)-clé(s) en anglais :
Alternative solvent
Characterization
Hydrogen-bonding
Temperature dependent
Nonionic eutectic solvent
Characterization
Hydrogen-bonding
Temperature dependent
Nonionic eutectic solvent
Discipline(s) HAL :
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Physique [physics]/Matière Condensée [cond-mat]/Matière Molle [cond-mat.soft]
Physique [physics]/Matière Condensée [cond-mat]/Systèmes désordonnés et réseaux de neurones [cond-mat.dis-nn]
Physique [physics]/Matière Condensée [cond-mat]/Matière Molle [cond-mat.soft]
Physique [physics]/Matière Condensée [cond-mat]/Systèmes désordonnés et réseaux de neurones [cond-mat.dis-nn]
Résumé en anglais : [en]
The nonionic Type V deep eutectic solvent (DESs) thymol + menthol is experimentally and computationally studied aiming to clarify the relation between its liquid phase structure and
its thermodynamic nonideality. 1H NMR, ...
Lire la suite >The nonionic Type V deep eutectic solvent (DESs) thymol + menthol is experimentally and computationally studied aiming to clarify the relation between its liquid phase structure and its thermodynamic nonideality. 1H NMR, Raman, and X-ray scattering analysis of the thymol + menthol system, supported by molecular dynamics simulations, show complex intermolecular interactions dominated by sterically hindered H-bonded clusters. For temperatures greater than or equal to room temperature, a quasi-linear evolution of the eutectic system properties between the pure compounds is observed, suggesting the absence of a magic stoichiometric composition in the eutectic solvent. However, temperature dependent Raman spectroscopy indicates a notable increase in thymol−menthol H-bonding as temperatures approach the eutectic point. This study shows that nonionic Type V DESs present an important temperature-dependent nonideality originating from the change in the intermolecular H-bonding with temperature. These findings have significant implications for the design and growing application of Type V DESs.Lire moins >
Lire la suite >The nonionic Type V deep eutectic solvent (DESs) thymol + menthol is experimentally and computationally studied aiming to clarify the relation between its liquid phase structure and its thermodynamic nonideality. 1H NMR, Raman, and X-ray scattering analysis of the thymol + menthol system, supported by molecular dynamics simulations, show complex intermolecular interactions dominated by sterically hindered H-bonded clusters. For temperatures greater than or equal to room temperature, a quasi-linear evolution of the eutectic system properties between the pure compounds is observed, suggesting the absence of a magic stoichiometric composition in the eutectic solvent. However, temperature dependent Raman spectroscopy indicates a notable increase in thymol−menthol H-bonding as temperatures approach the eutectic point. This study shows that nonionic Type V DESs present an important temperature-dependent nonideality originating from the change in the intermolecular H-bonding with temperature. These findings have significant implications for the design and growing application of Type V DESs.Lire moins >
Langue :
Anglais
Comité de lecture :
Oui
Audience :
Internationale
Vulgarisation :
Non
Établissement(s) :
Université de Lille
CNRS
INRA
ENSCL
CNRS
INRA
ENSCL
Collections :
Équipe(s) de recherche :
Matériaux Moléculaires et Thérapeutiques
Date de dépôt :
2022-01-28T08:37:29Z
2022-01-29T15:23:55Z
2022-01-29T15:23:55Z