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: | , , , |
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| Format: | Bài trích |
| Language: | eng |
| Published: |
Macromolecular Theory and Simulation
2021
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| 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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| Summary: | 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. |
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