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Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression

Physical properties of the pressure-induced activation volume and dynamic decoupling of ternidazole, glycerol, and probucol by the elastically collective nonlinear Langevin equation theory is theoretically investigated. Based on the predicted temperature dependence of activated relaxation under vari...

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Main Authors: Anh D. Phan, Nguyen K. Ngan, Nam B. Le, Le T. M. Thanh
Format: Bài trích
Language:eng
Published: Macromolecular Theory and Simulation 2021
Online Access:https://onlinelibrary.wiley.com/doi/10.1002/mats.202100035
https://dlib.phenikaa-uni.edu.vn/handle/PNK/2852
https://doi.org/10.1002/mats.202100035
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spelling oai:localhost:PNK-28522022-08-17T05:54:48Z Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression Anh D. Phan Nguyen K. Ngan Nam B. Le Le T. M. Thanh Physical properties of the pressure-induced activation volume and dynamic decoupling of ternidazole, glycerol, and probucol by the elastically collective nonlinear Langevin equation theory is theoretically investigated. Based on the predicted temperature dependence of activated relaxation under various compressions, the activation volume is determined to characterize effects of pressure on molecular dynamics of materials. It is found that the decoupling of the structural relaxation time of compressed systems from their bulk uncompressed value is governed by the power-law rule. The decoupling exponent exponentially grows with pressure below 2 GPa. The decoupling exponent and activation volume are intercorrelated and have a connection with the differential activation free energy. Relationships among these quantities are analyzed numerically and mathematically to explain many results in previous experiments and simulations. 2021-09-14T07:14:54Z 2021-09-14T07:14:54Z 2021 Bài trích https://onlinelibrary.wiley.com/doi/10.1002/mats.202100035 https://dlib.phenikaa-uni.edu.vn/handle/PNK/2852 https://doi.org/10.1002/mats.202100035 eng Macromolecular Theory and Simulation
institution Digital Phenikaa
collection Digital Phenikaa
language eng
description Physical properties of the pressure-induced activation volume and dynamic decoupling of ternidazole, glycerol, and probucol by the elastically collective nonlinear Langevin equation theory is theoretically investigated. Based on the predicted temperature dependence of activated relaxation under various compressions, the activation volume is determined to characterize effects of pressure on molecular dynamics of materials. It is found that the decoupling of the structural relaxation time of compressed systems from their bulk uncompressed value is governed by the power-law rule. The decoupling exponent exponentially grows with pressure below 2 GPa. The decoupling exponent and activation volume are intercorrelated and have a connection with the differential activation free energy. Relationships among these quantities are analyzed numerically and mathematically to explain many results in previous experiments and simulations.
format Bài trích
author Anh D. Phan
Nguyen K. Ngan
Nam B. Le
Le T. M. Thanh
spellingShingle Anh D. Phan
Nguyen K. Ngan
Nam B. Le
Le T. M. Thanh
Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression
author_facet Anh D. Phan
Nguyen K. Ngan
Nam B. Le
Le T. M. Thanh
author_sort Anh D. Phan
title Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression
title_short Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression
title_full Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression
title_fullStr Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression
title_full_unstemmed Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass-Forming Liquids under Compression
title_sort toward a better understanding of activation volume and dynamic decoupling of glass-forming liquids under compression
publisher Macromolecular Theory and Simulation
publishDate 2021
url https://onlinelibrary.wiley.com/doi/10.1002/mats.202100035
https://dlib.phenikaa-uni.edu.vn/handle/PNK/2852
https://doi.org/10.1002/mats.202100035
_version_ 1751856303616032768
score 8.891053

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