Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former

Abstract We probe the temperature- and pressure-dependent specific volume (v) and dipolar dynamics of the amorphous phase (in both the supercooled liquid and glass states) of the ternidazole drug (TDZ). Three molecular dynamic processes are identified by means of dielectric spectroscopy, namely the...

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Main Authors: Michela Romanini, María Barrio, Roberto Macovez, María D. Ruiz-Martin, Simone Capaccioli, Josep Ll. Tamarit
Format: Article
Language:English
Published: Nature Publishing Group 2017-05-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-017-01464-2
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spelling doaj-e462d5eb8fbe4b6fb850806b7c61aca12020-12-08T00:51:23ZengNature Publishing GroupScientific Reports2045-23222017-05-017111110.1038/s41598-017-01464-2Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-FormerMichela Romanini0María Barrio1Roberto Macovez2María D. Ruiz-Martin3Simone Capaccioli4Josep Ll. Tamarit5Grup de Caracterització de Materials, Universitat Politècnica de Catalunya, EEBE, Departament de Física, and Barcelona Research Center in Multiscale Science and EngineeringGrup de Caracterització de Materials, Universitat Politècnica de Catalunya, EEBE, Departament de Física, and Barcelona Research Center in Multiscale Science and EngineeringGrup de Caracterització de Materials, Universitat Politècnica de Catalunya, EEBE, Departament de Física, and Barcelona Research Center in Multiscale Science and EngineeringGrup de Caracterització de Materials, Universitat Politècnica de Catalunya, EEBE, Departament de Física, and Barcelona Research Center in Multiscale Science and EngineeringDipartimento di Fisica, Università di Pisa, and IPCF-CNRGrup de Caracterització de Materials, Universitat Politècnica de Catalunya, EEBE, Departament de Física, and Barcelona Research Center in Multiscale Science and EngineeringAbstract We probe the temperature- and pressure-dependent specific volume (v) and dipolar dynamics of the amorphous phase (in both the supercooled liquid and glass states) of the ternidazole drug (TDZ). Three molecular dynamic processes are identified by means of dielectric spectroscopy, namely the α relaxation, which vitrifies at the glass transition, a Johari-Goldstein β JG relaxation, and an intramolecular process associated with the relaxation motion of the propanol chain of the TDZ molecule. The lineshapes of dielectric spectra characterized by the same relaxation time (isochronal spectra) are virtually identical, within the studied temperature and pressure ranges, so that the time-temperature-pressure superposition principle holds for TDZ. The α and β JG relaxation times fulfil the density-dependent thermodynamic scaling: master curves result when they are plotted against the thermodynamic quantity Tv γ , with thermodynamic exponent γ approximately equal to 2. These results show that the dynamics of TDZ, a system characterized by strong hydrogen bonding, is characterized by an isomorphism similar to that of van-der-Waals systems. The low value of γ can be rationalized in terms of the relatively weak density-dependence of the dynamics of hydrogen-bonded systems.https://doi.org/10.1038/s41598-017-01464-2
collection DOAJ
language English
format Article
sources DOAJ
author Michela Romanini
María Barrio
Roberto Macovez
María D. Ruiz-Martin
Simone Capaccioli
Josep Ll. Tamarit
spellingShingle Michela Romanini
María Barrio
Roberto Macovez
María D. Ruiz-Martin
Simone Capaccioli
Josep Ll. Tamarit
Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
Scientific Reports
author_facet Michela Romanini
María Barrio
Roberto Macovez
María D. Ruiz-Martin
Simone Capaccioli
Josep Ll. Tamarit
author_sort Michela Romanini
title Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
title_short Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
title_full Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
title_fullStr Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
title_full_unstemmed Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
title_sort thermodynamic scaling of the dynamics of a strongly hydrogen-bonded glass-former
publisher Nature Publishing Group
series Scientific Reports
issn 2045-2322
publishDate 2017-05-01
description Abstract We probe the temperature- and pressure-dependent specific volume (v) and dipolar dynamics of the amorphous phase (in both the supercooled liquid and glass states) of the ternidazole drug (TDZ). Three molecular dynamic processes are identified by means of dielectric spectroscopy, namely the α relaxation, which vitrifies at the glass transition, a Johari-Goldstein β JG relaxation, and an intramolecular process associated with the relaxation motion of the propanol chain of the TDZ molecule. The lineshapes of dielectric spectra characterized by the same relaxation time (isochronal spectra) are virtually identical, within the studied temperature and pressure ranges, so that the time-temperature-pressure superposition principle holds for TDZ. The α and β JG relaxation times fulfil the density-dependent thermodynamic scaling: master curves result when they are plotted against the thermodynamic quantity Tv γ , with thermodynamic exponent γ approximately equal to 2. These results show that the dynamics of TDZ, a system characterized by strong hydrogen bonding, is characterized by an isomorphism similar to that of van-der-Waals systems. The low value of γ can be rationalized in terms of the relatively weak density-dependence of the dynamics of hydrogen-bonded systems.
url https://doi.org/10.1038/s41598-017-01464-2
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