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Model of the cooperative rearranging region for polyhydric alcohols
| Title: | Model of the cooperative rearranging region for polyhydric alcohols |
| Authors: | Nakanishi, Masahiro1 Browse this author | | Nozaki, Ryusuke2 Browse this author →KAKEN DB |
| Authors(alt): | 中西, 真大1 | | 野嵜, 龍介2 |
| Issue Date: | Jul-2011 |
| Publisher: | American Physical Society |
| Journal Title: | Physical Review E |
| Volume: | 84 |
| Issue: | 1 |
| Start Page: | 011503 |
| Publisher DOI: | 10.1103/PhysRevE.84.011503 |
| Abstract: | A simplified model of a hydrogen-bonding network is proposed in order to clarify the microscopic structure of the cooperative rearranging region (CRR) in Adam-Gibbs theory [G. Adam and J. H. Gibbs, J. Chem. Phys. 43, 139 (1965)]. Our model can be solved analytically, and it successfully explains the reported systematic features of the glass transition of polyhydric alcohols. In this model, hydrogen bonding is formulated based on binding free energy. Assuming a cluster of molecules connected by double hydrogen bonds is a CRR and approximating the hydrogen-bonding network as a Bethe lattice in percolation theory, the temperature dependence of the structural relaxation time can be obtained analytically. Reported data on relaxation times are well described by the obtained equation. By taking the lower limit of the binding free energy with this equation, the Vogel-Fulcher-Tammann equation can be derived. Consequently, the fragility index and glass transition temperature can be expressed as functions of the number of OH groups in a molecule, and this relation agrees well with the reported experimental data. |
| Rights: | ©2011 American Physical Society |
| Type: | article |
| URI: | http://hdl.handle.net/2115/46959 |
| Appears in Collections: | 理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: 野嵜 龍介
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