Molecular dynamics study of nanoconfined TIP4P/2005 water: how confinement and temperature affect diffusion and viscosity
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- A. Zaragoza
- Departamento de Estructura de la Materia
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- M. A. Gonzalez
- Departamento de Química Física
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- L. Joly
- Univ. Lyon
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- I. López-Montero
- Departamento de Química Física
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- M. A. Canales
- Departamento de Química Orgánica I
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- A. L. Benavides
- Depto. Ingeniería Física
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- C. Valeriani
- Departamento de Estructura de la Materia
書誌事項
- 公開日
- 2019
- 権利情報
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- http://rsc.li/journals-terms-of-use
- DOI
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- 10.1039/c9cp02485a
- 公開者
- Royal Society of Chemistry (RSC)
この論文をさがす
説明
<p>The structure and dynamics of TIP4P/2005 water under different nanoconfinements and within a wide temperature range is studied using molecular dynamics. In particular, two different estimates of the viscosity (Green–Kubo formula and confined Stokes–Einstein relation) differ dramatically.</p>
収録刊行物
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- Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics 21 (25), 13653-13667, 2019
Royal Society of Chemistry (RSC)
