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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| Ngôn ngữ: | eng |
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Macromolecular Theory and Simulation
2021
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| Truy cập trực tuyến: | 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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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 |
8.891145 |