Item type |
itemtype_ver1(1) |
公開日 |
2023-02-07 |
タイトル |
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タイトル |
Effects of molecular shape and flexibility on fast sound of organic liquids |
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言語 |
en |
著者 |
Yamaguchi, Tsuyoshi
Yoshida, Koji
Hosokawa, Shinya
Ishikawa, Daisuke
Baron, Alfred Q. R.
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アクセス権 |
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アクセス権 |
open access |
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アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
権利 |
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言語 |
en |
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権利情報 |
Copyright 2022 Author(s). Published under an exclusive license by AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.The following article appeared in (The Journal of Chemical Physics. 157, 154504 (2022)) and may be found at (https://doi.org/10.1063/5.0107387). |
内容記述 |
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内容記述 |
Inelastic x-ray scattering spectra of four organic liquids, n-hexane, cyclohexane, ethylene glycol dimethyl ether, and 1,4-dioxane, were measured, and the sound velocity in the nm−1 wavenumber and meV energy regimes was determined. Compared with the corresponding values in the hydrodynamic limit, the sound velocity in the nm−1 regime was faster, and the positive dispersion of the longitudinal modulus was stronger in liquids composed of ring structures (cyclohexane and 1,4-dioxane) than in those of linear chain structures (n-hexane and ethylene glycol dimethyl ether). Molecular dynamics simulation of n-hexane and cyclohexane was also performed. The difference in the positive dispersion of the longitudinal modulus was reproduced by simulation, and it was elucidated by the difference in the longitudinal modulus in the q = 0 limit and the THz frequency regime. The excess part of the longitudinal modulus from the hydrodynamic limit was further divided into various contributions, and the smaller excess modulus of n-hexane was mainly ascribed to two reasons. The first one is that the shear modulus of n-hexane is smaller in the THz regime, and the second one is that the positive dispersion of the bulk modulus due to the vibrational energy relaxation is weaker. The second mechanism was further interpreted in terms of the fast vibrational energy relaxation of intramolecular modes associated with the chain deformation of n-hexane. |
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言語 |
en |
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内容記述タイプ |
Abstract |
出版者 |
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言語 |
en |
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出版者 |
AIP Publishing |
言語 |
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言語 |
eng |
資源タイプ |
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資源タイプresource |
http://purl.org/coar/resource_type/c_6501 |
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タイプ |
journal article |
出版タイプ |
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出版タイプ |
VoR |
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出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
関連情報 |
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関連タイプ |
isVersionOf |
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識別子タイプ |
DOI |
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関連識別子 |
https://doi.org/10.1063/5.0107387 |
収録物識別子 |
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収録物識別子タイプ |
PISSN |
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収録物識別子 |
0021-9606 |
書誌情報 |
en : The Journal of Chemical Physics
巻 157,
号 15,
p. 154504,
発行日 2022-10-21
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ファイル公開日 |
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日付 |
2023-10-21 |
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日付タイプ |
Available |